pKa calculations

User 74bff21454

19-08-2010 18:30:11

Quick question on the pKa-related functions... what's the "strongness" index? I've search around for this but can't seem to find an explanation. Also, what values are expected. I know that when I use "1" I get the same value as when I'm using the plugin in Marvin Sketch.



ChemAxon def2724101

21-08-2010 09:04:29

Thank you for your question.

Please check this link for detailed information about the pKa calculations. If you have any further question, please do not hesitate to let us know on the forum.

Zsolt Skribanek

User 74bff21454

23-08-2010 17:33:32


I'm still not sure about the "Strongness" index for the Excel pka functions. The linked page does not mention what it is.



ChemAxon bd13b5bd77

25-08-2010 07:25:21


does this help?

apKa Protonation Plugin Group calculates acidic pKa values the acidic pKa values

Note, that the atom index and the strongness index are mutually exclusive. Molecule Context (All)

acidicpKa(0) returns the acidic pKa of atom 0 of the input molecule acidicpKa("2") returns the second strongest acidic pKa value


User 74bff21454

31-08-2010 17:14:18

That makes sense. Thanks, Viktor.

ChemAxon e08c317633

31-08-2010 19:27:17

See also