MDL^® ISIS/Draw

The most used chemical drawing package. 

Here a few highlights of ISIS/Draw

• import and export Molfile
• import and export nearly any file format with ConSystant and Chemeleon

  • ConSystant can convert a file or files in a single directory from one format to another using a single command.

  • Chemeleon converts the structures automatically on the clipboard making it possible to "cut&paste" among different programs from different vendors.

• Convert structures to names with Autonom

• Calculate logP - see CompuDrug

• Calculate pKa - see CompuDrug

• Calculate logD - see CompuDrug

• Calculate H1 and C13 NMR - see ACD/Labs http://www.acdlabs.com/products/glob_sol_lab/isis_integration/i_draw.htmlv

For academia and personal use you can download a free copy from MDL^® ISIS/Draw.