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.
I'm still not sure about the "Strongness" index for the Excel pka functions. The linked page does not mention what it is.
does this help?
apKa Protonation Plugin Group calculates acidic pKa values the acidic pKa values
- the atom index / MolAtom object,
- the strongness index as string (e.g. '1' for strongest, '2' for second strongest pKa),
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
That makes sense. Thanks, Viktor.