logD Calculation - Possible to Specify pKa's?

I use the Marvin GUI along with the logD plugin. Is it possible for me to specify the pKa(s) of the compound rather than allow Marvin to calculate them? I need to do this to determine the effect of pKa shifts induced by organic solvents on the logD of compounds. Some are zwitterionic, others not.

Dear Carl,

Quote:

Is it possible for me to specify the pKa(s) of the compound rather than allow Marvin to calculate them?

This option is not available.








Jozsi