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propertycalculator [2012/12/15 16:11]
propertycalculator [2013/01/13 14:31]
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|====== Property calculator ======||====== Property calculator ======|
|+||* Create a physicochemical property profile for your compound in a second|
|+||* Reject compounds with unsuitable logP, insufficient number of H-bond acceptors/donors, too many rotatable bonds, etc.|
|+||* Prioritize compounds with highest ligand efficiency (low number of heavy atoms and logP)|