Features

ChemDraw 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.

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

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.

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.

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.

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

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.

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 Std 13.0 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.

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.

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.

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.

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

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