Beyond the descriptions provided under:
is there any other publically available documentation regarding the logD calculator used by cxcalc?
Specifically, have the logD (7.4) predictions been validated on experimental data? (The references above only seem to present experimental validation of the logP calculator on the PhysProp database.)
I am particularly interested in the reliability of logD (7.4) predictions for ionisable molecules.
I am currently using version 188.8.131.52, if that makes any difference. (I appreciate this is an old version; I would ideally like to use this - both for convenience, as well as consistency for calculations I have currently carried out with this version.)
Thank you for any information you can provide.