Physicochemical Properties: Difference between revisions
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Revision as of 12:39, 18 May 2012
Overview
The module performs a quick check on several useful properties characterizing the compound of interest in general. The results cover Lipinski-type properties (MW, TPSA, numbers of hydrogen bond donors and acceptors, etc.).
Interface
- Displays physicochemical properties:
- Molecular Weight
- No. of Hydrogen Bond Donors
- No. of Hydrogen Bond Acceptors
- TPSA
- No. of Rotatable Bonds
- Up to 5 most similar drug-like structures