This shows you the differences between two versions of the page.
propertycalculator [2012/12/15 16:11]
propertycalculator [2013/01/13 14:31] (current)
|Line 1:||Line 1:|
|====== 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)|