Features

ChemBioDraw Ultra 13.0 ActiveX Edit in ChemDraw Edit your document using your installed version of ChemDraw, rather than your ActiveX, providing greater screen real estate for editing, and also access to the full range of ChemDraw capabilities.

Arrows Tool Control every aspect of arrows drawn, including arc, length, headstyle, dipole, no-go and more.

BioDraw Draw biological pathways with common pathway elements such as membranes, DNA, enzymes, receptors, and reaction arrows. tRNA, Ribosomes, Helix Proteins, Golgi Bodies, G-Proteins, Immunoglobins, Mitochondrion and more!

Biopolymer Toolbar Draw peptides and nucleotide (DNA, RNA) sequences using 1- and 3- letter codes. Includes natural L-, unnatural D- and beta amino acids. Simply switch between 1- and 3- letter codes and expand and contract labels. Insert linking and protecting groups with simple type-ahead functionality. Use the bond tool to create disulfide and lactam bridges, and cyclic peptides.

Chain Tools Draw both acyclic and snaking chains.

ChemBio3D HotLink (W) See what structures look like in 3D in a floating window and open Chem3D with a single click from within ChemDraw.

Chemical File Format Reading & writing of chemical file formats including skc, mol v3000, sdf, spectra & reactions.

Chemical Warnings Mouse-over red box to read error description.

ChemNMR Solvent Selection Users can now select whether they want the spectrum predicted in CDCl3 or DMSO.

ChemNMR User Proton Shift Database Users can add their own shift correction data for proton prediction which can supplement the existing data used by the ChemNMR algorithm.

ChemProp (W) Advanced property parameter including BP, MP and more.

CLogP CLogP/CMR provides the latest methodology for calculationg n-octanol/water partition coefficients and molar refractivity.

Custom Templates & Nicknames Ability to create & edit templates & nicknames.

Database HotLink Search PerkinElmer Informatics databases for chemical structures in real time as you draw.

Expand Generic Structure Generate multiple structures from an "abbreviated" generic structure.

Floating Character Map Add special characters from any font instantly to any ChemDraw document.

Floating Periodic Table Element information available at all times with floating periodic table on the desktop.

Freehand Drawing Tool Use the mouse or other pointing device to draw freehand shapes using this intuitive drawing tool.

Gel Electrophoresis Plate Tool Draw gel electrophoresis plates. This new tool is similar to TLC Plate Tool, and provides arbitrary rotation for lane labels, drag and position band labels, paste data from Excel or other sources, and copy and paste between lanes.

High Color Documents and Templates Documents can contain over 16 million colors. Create high color pathway and element templates.

I/Draw Mode New compatibility mode allows ChemDraw to look and feel like your legacy drawing package.

ISIS-style Data SGroups Data can be attached to objects.

LabArt Publication-quality EPS glassware art for use within your ChemDraw documents.

LogD Calculate the logarithmic value of the distribution coefficient D, which is the ratio of the sum of the concentrations of all forms of the compound (ionized plus un-ionized) in each of the two phases.

LogS Calculate the logarithmic value of the aqueous solubility S of a compound. This value significantly affects its absorption and distribution characteristics.

Mass & Other Fragmentation Tools Three fragmentation tools: Mass, Dissociation, & Retrosynthesis.

MS Office Integration (W) ChemDraw offers full integration via OLE, so you can embed your drawings in any Office document.

Multi-Page Docs Create multiple page documents and posters within a single ChemDraw file.

Name=Struct Produce structures from systematic and common chemical structure names, and generate systematic IUPAC names from structures. Works for many types of compounds, including charged compounds and salts, isotopically labeled compounds, highly symmetric structures and many other types of organic, inorganic and organometallics.

Online Menu (W) Draw a structure or model and immediately get online vendor information ChemACX.Com with the click of a button.

Paste Sequences Paste sequences in FASTA format. Copy a text string describing a biopolymer as a series of single or multi letter residues, with valid separators (space, tab, dash), and paste it as a sequence with full chemistry.

pKa Calculate the logarithmic value of the acid dissociation constant Ka, which is a quantitative measure of the strength of an acid in solution.

Plasmid Map Tool Create a plasmid map entering the number of base pairs in the plasmid map and specifying ranges for regions and locations and labels for markers.

Polymer Draw Represent and manipulate polymers in ChemDraw.

Properties HotLink Chemical names, formulas, molecular weights, and other physical properties added to the document are “live”, and will now update automatically as modifications are made to structural diagrams.

Relative Stereochemistry Allows specification of relationships between groups of stereocenters smaller than an entire molecule.

Rotation about Arbitrary Centers Change the center of rotation using adjustment handle on the Lasso and Marquee tools. Rotation will now be centered on the selected origin.

Save to Dropbox Use Cloud storage via Dropbox to save, share and import ChemBio3D models in a secure but sharable Cloud location.

Sequence Tool Draw peptide or nucleotide sequences using using 1 and 3 letter codes. The atoms are labeled with amino acid or nucleotide nicknames. The sequences can be expanded and contracted.

Stereochemistry Identifies stereocenters using Cahn-Ingold Prelog rules.

Stoichiometry Grid Automatically track and update stoichiometry data for any user-defined chemical reaction.

Structure CleanUp Improves poor drawings.

Structure Perspective Tool Adjust the perspective of ChemDraw molecules with simple horizontal/vertical mouse movements.

TLC Plate Tool Draw thin layer chromatography plates. Drag plate to size and drag spots to required positions. Shape and color spots and set or display Rf values.

tPSA Topological Polar Surface Area (tPSA) provides a fast approximation of the molecular polar surface area, a useful parameter for prediction of drug transport properties, which has been show to correlate with human intestinal absorption and blood-brain barrier penetration.

ChemDraw ActiveX/Plugin Pro 13.0 ActiveX Edit in ChemDraw Edit your document using your installed version of ChemDraw, rather than your ActiveX, providing greater screen real estate for editing, and also access to the full range of ChemDraw capabilities.

Arrows Tool Control every aspect of arrows drawn, including arc, length, headstyle, dipole, no-go and more.

Chain Tools Draw both acyclic and snaking chains.

Chemical File Format Reading & writing of chemical file formats including skc, mol v3000, sdf, spectra & reactions.

Chemical Warnings Mouse-over red box to read error description.

Custom Templates & Nicknames Ability to create & edit templates & nicknames.

Expand Generic Structure Generate multiple structures from an "abbreviated" generic structure.

Floating Character Map Add special characters from any font instantly to any ChemDraw document.

Floating Periodic Table Element information available at all times with floating periodic table on the desktop.

Freehand Drawing Tool Use the mouse or other pointing device to draw freehand shapes using this intuitive drawing tool.

I/Draw Mode New compatibility mode allows ChemDraw to look and feel like your legacy drawing package.

ISIS-style Data SGroups Data can be attached to objects.

LabArt Publication-quality EPS glassware art for use within your ChemDraw documents.

Mass & Other Fragmentation Tools Three fragmentation tools: Mass, Dissociation, & Retrosynthesis.

MS Office Integration (W) ChemDraw offers full integration via OLE, so you can embed your drawings in any Office document.

Multi-Page Docs Create multiple page documents and posters within a single ChemDraw file.

Online Menu (W) Draw a structure or model and immediately get online vendor information ChemACX.Com with the click of a button.

Polymer Draw Represent and manipulate polymers in ChemDraw.

Properties HotLink Chemical names, formulas, molecular weights, and other physical properties added to the document are “live”, and will now update automatically as modifications are made to structural diagrams.

Relative Stereochemistry Allows specification of relationships between groups of stereocenters smaller than an entire molecule.

Stereochemistry Identifies stereocenters using Cahn-Ingold Prelog rules.

Structure CleanUp Improves poor drawings.

Structure Perspective Tool Adjust the perspective of ChemDraw molecules with simple horizontal/vertical mouse movements.

TLC Plate Tool Draw thin layer chromatography plates. Drag plate to size and drag spots to required positions. Shape and color spots and set or display Rf values.

tPSA Topological Polar Surface Area (tPSA) provides a fast approximation of the molecular polar surface area, a useful parameter for prediction of drug transport properties, which has been show to correlate with human intestinal absorption and blood-brain barrier penetration.

ChemBio3D Ultra 13.0 3D Glasses (W) Included glasses provide enhanced stereo-mode with depth shadings to give realistic 3-dimensional quality to all Chem3D renderings. (Included in CD-ROM purchases only.)

Automatic Overlay (W) Select multiple molecules and let Chem3D automatically align them with a target molecule.

ChemDraw HotLink (W) Simultaneous 2D & 3D editing! Draw structures using a ChemDraw window embedded in the Chem3D application. This powerful feature adds a 2D view that is always in-sync with the 3D view.

ChemProp (W) Advanced property parameter including BP, MP and more.

CLogP (W) CLogP property server provides the latest methodology for calculationg n-octanol/water partition coefficients.

Dihedral Driver (W) New conformational analysis tool allows the generation of MM2 energy plots.

Enhanced Graphics (W) Chem3D uses openGL to provide high quality graphics display.

Formal Charges (W) Assign Formal Charges to Atoms and Chem3D will generate delocalized charges automatically.

GAMESS plus Interface (W) GAMESS and Chem3D interface to GAMESS

Group Labels (W) Display group labels in the Chem3D model view.

Hydrogen Bonds (W) Automatically display hydrogen bonds in the 3D view!

Kekule / Delocalized Display Mode (W) Toggle between dashed line and alternating single-double bond representation of delocalized and aromatic bonds.

LogD Calculate the logarithmic value of the distribution coefficient D, which is the ratio of the sum of the concentrations of all forms of the compound (ionized plus un-ionized) in each of the two phases.

LogS Calculate the logarithmic value of the aqueous solubility S of a compound. This value significantly affects its absorption and distribution characteristics.

MM2 (W) Built in support for MM2 to generate realistic 3D structures.

MMFF94 (W) MMFF94 is a molecular mechanics force-field that supports both organic molecules and biopolymers. MMFF94 force field provides a richer set of atom types than MM2. Enable multiprocessor support in MMFF94 calculations.

Model Explorer (W) Hierarchical tree-control for exploring the structure of large models. Import a PDB file and examine chains, groups, and ligands. This new feature gives fine-grained control.

Molecular Modeling & Dynamics (W) Workstation quality molecular modeling.

MOPAC Interface (W) Chem3D interface to MOPAC. (Note: MOPAC application is required. See applications included section to clarify.)

Partial Surfaces (W) Generate and display partial surfaces for protein active sites.

pKa Calculate the logarithmic value of the acid dissociation constant Ka, which is a quantitative measure of the strength of an acid in solution.

PowerPoint (W) Embed Chem3D models in PowerPoint files. Rotate and zoom Chem3D models while giving a presentation.

Save to Dropbox Use Cloud storage via Dropbox to save, share and import ChemBio3D models in a secure but sharable Cloud location.

Spectrum Viewer (W) Display spectral calculation results from Gaussian and GAMESS as a graphical display in a separate window.

Stochastic Conformational Analysis Determination of low-energy minima of a molecule using a stochastic conformational jump procedure.

Structure Browser (W) Allows users to easily scroll through a collection of small molecules and compare their structures and properties.

ChemBioFinder Ultra 13.0 3D Query/Finder (W) Query ChemFinder database by 3D parameter.

ActiveX Control Boxes (W) Include third party ActiveX controls on your form.

Automatic Form Generation (W) Automatically build or extend databases by importing structures from collections of structure files, databases, SDFiles, or other sources.

ChemBioFinder/Office (W) Search on your computer or network for chemical structures in Word, Excel, Powerpoint, ChemDraw, ISIS files and more, and browse, search, refine, or export your hit list to any destination.

BioViz (W) The bio visualization add-on to ChemBioFinder allows you to create graphical representations of ChemBioFinder databases in order to identify trends and correlations within subsets of your data.

Chemical Searching (W) Search for (sub)structure, similarity, numeric values, text, chemical formula (including element ranges, element exclusions), date. Support for tautomers and alt groups.

Clustering Analysis Discover similarities within sets of compounds and properties.

Compound Profiles (W) Visually compare and rank structures based on values of selected properties and the cost profile associated with each property.

Hit List and Query Management (W) Use a navigation tree to track history of searches between sessions, allow queries to be rerun or reconstituted; merge lists by drag-and-drop in tree. Queries color-coded to relate to ChemBioViz plots.

List Merge (W) Merge hitlists with any logic: intersect, union, subtract, reverse subtract.

Multiple Data Views (W) View records one at a time, in a table view or a multiform view.

Plotting (W) Plot one or two variables with a variety of plotting options. Hover over a point to view the corresponding chemical structure. Filter displayed points by any numeric variable using a slider control.

Plotting: Statistical Analysis and Customization (W) Perform statistical analyses and display the results on the plot, modify the shape and color of plot points, add comment boxes, change axis label text and background color.

Plotting: Subform Plots (W) Include miniature plots inside subform boxes for quick visualization of subform data on a per-compound basis.

Property Generation (W) Generate many types of physical property; populate database fields automatically or generate on-the-fly per record.

Python Scripting Python scripts can be written to automate the application and can be attached to buttons on the form or to database trigger events. User the enhanced Script Editor to develop and debug -- now featuring interactive line-by-line execution -- and display output in a new dockable text window.

Scripting (W) Python scripts can be written to automate the application and can be attached to buttons on the form or to database trigger events. User the enhanced Script Editor to develop and debug -- now featuring interactive line-by-line execution -- and display output in a new dockable text window. CAL is a simple programming language, accessible to non-programmers allows automation, self-running demos, custom operations; includes debugging features.

Standardized Handling of Implict Hydrogens Conforms to industry standards.

Subforms (W) Link relational data to your main table via subforms.

Tabbed Forms (W) Partition a form into sections using tabbed form pages.

ChemDraw/Excel Pro 13.0 ChemDraw/Excel (W) Use Excel to organize and analyze your chemical data.

Name>Struct/Excel (W) Generate a ChemDraw structure in MS Excel by typing in systematic chemical names for most substances.

BioDraw Ultra 13.0 Arrows Tool Control every aspect of arrows drawn, including arc, length, headstyle, dipole, no-go and more.

Chain Tools Draw both acyclic and snaking chains.

Chemical Warnings Mouse-over red box to read error description.

Expand Generic Structure Generate multiple structures from an "abbreviated" generic structure.

Floating Character Map Add special characters from any font instantly to any ChemDraw document.

Floating Periodic Table Element information available at all times with floating periodic table on the desktop.

Freehand Drawing Tool Use the mouse or other pointing device to draw freehand shapes using this intuitive drawing tool.

High Color Templates A set of high color pathway and element templates.

Mass & Other Fragmentation Tools Three fragmentation tools: Mass, Dissociation, & Retrosynthesis.

MS Office Integration (W) ChemDraw offers full integration via OLE, so you can embed your drawings in any Office document.

Plasmid Map Tool Create a plasmid map entering the number of base pairs in the plasmid map and specifying ranges for regions and locations and labels for markers.

Polymer Draw Represent and manipulate polymers in ChemDraw.

Properties HotLink Chemical names, formulas, molecular weights, and other physical properties added to the document are “live”, and will now update automatically as modifications are made to structural diagrams.

Relative Stereochemistry Allows specification of relationships between groups of stereocenters smaller than an entire molecule.

Sequence Tool Draw peptide or nucleotide sequences using using 1 and 3 letter codes. The atoms are labeled with amino acid or nucleotide nicknames. The sequences can be expanded and contracted.

Stereochemistry Identifies stereocenters using Cahn-Ingold Prelog rules.

Structure CleanUp Improves poor drawings.

Structure Perspective Tool Adjust the perspective of ChemDraw molecules with simple horizontal/vertical mouse movements.

TLC Plate Tool Draw thin layer chromatography plates. Drag plate to size and drag spots to required positions. Shape and color spots and set or display Rf values.

ChemNMR Pro 13.0 ChemNMR Predict Proton NMR spectra with splitting patterns. Also predict Carbon-13 NMR spectra. Spectra and peaks are linked to the structure for clear interpretation. Add your own shift correction data for proton prediction which can supplement the existing data used by the ChemNMR algorithm.

ChemNMR User Proton Shift Database Users can add their own shift correction data for proton prediction which can supplement the existing data used by the ChemNMR algorithm.

Struct=Name Pro 13.0 Name>Struct Produce structures from systematic and common chemical structure names. It can be used for many types of compounds, including charged compounds and salts, highly symmetric structures and many other types of organic, inorganic and organometallics.

Struct>Name Produce names for many more types of compounds, including charged compounds and salts, highly symmetric structures, many types of inorganic and organometallic compounds, and others.

ChemScript Pro 13.0 ChemScript Pro Apply chemical business rules to chemical objects by using customizable scripts

MestRe Nova Std/Lite 1D NMR Processing Process and analyze 1D NMR FID (free induction decay) files.

Gaussian Interface Gaussian Interface (W) Chem3D interface to Gaussian. (Note: Gaussian application is required. See applications included section to clarify.)