pKa Calculations

User e0e01803ef

12-02-2013 11:48:04


I have started to use Chemicalize to predict the pKa of molecules and was wondering if there is any information/guidance available on how the software does it? Any advice is greatly appreciated.

Thanks in advance,



ChemAxon afdac7b783

13-02-2013 08:55:44


You can find the description of the pKa calculation method at:


Best regards,