discrepancy between logP and logD

User 0988b3f70d

28-07-2014 14:43:42


When calculating the logP and logD(7.4) of bilobalide, the two values are not the same (-0.28 and -0.56), though there are no pKa-s around pH 7.4 so the two should be the same. Interestingly, if I take away the OH geminal to the t-butyl group, then the two values become the same (0.56). To me this seems like a bug.

Thanks for any help,


bilobalide: CC(C)(C)C1(O)CC2OC(=O)CC22C(=O)OC3OC(=O)C(O)C123

without OH: CC(C)(C)C1CC2OC(=O)CC22C(=O)OC3OC(=O)C(O)C123

ChemAxon d51151248d

29-07-2014 13:37:39

Dear sotar, 

thank you for reporting the issue to us. We managed to reproduce the bug, and we will fix it as soon as possible.

Best regards.