LogP Calculator - Which Algorithm?

User 0908c5ccdd

23-02-2007 11:51:35

Please could you let me know which algorithm the ChemAxon LogP calculator uses?

Our molecular modeler prefers CLogP. However I know that there are other algorithms such as ALogP, MLogP, XLogP etc.

Many thanks.

ChemAxon 9c0afc9aaf

23-02-2007 12:25:13


I have moved your question to the appropriate section of the forum.

My colleagues will answer your question shortly.

Best regards,


User 851ac690a0

14-03-2007 18:51:36


Our logP calculator based on this method:

Viswanadhan, V. N.; Ghose, A. K.; Revankar, G. R. and Robins, R. K., J.Chem.Inf.Comput.Sci., 1989, 29, 3, 163-172

We supplemented the original atomic fragments with new ionic and neutral atom types.

We pay special attention on the logP calculation of zwitterions. For zwitterionic molecules we calculate the distribution coefficient (logD) of the submitted molecule at the isoelectric point.



Best wishes,