Details of logP calculation?

Hi ChemAxon,

The chemical terms documentation (http://www.chemaxon.com/marvin/help/chemicalterms/EvaluatorFunctions.html) state that

"logP() returns the most typical logP out of the input molecule logP, the logP of the nonionic species and logD at pI"

What exactly does "most typical" mean? Do you throw away the high and low values, returning the central value?

Thanks,

Krishna

Hi,

 

The logP calculation scheme given on the attached figure.  The logP is calculated according to the "logP true" case by default. The output result may be the "logP" or the "logD" as it is explained on the figure. 

 

We will improve our documentation.

Thanks for the feedback.

 

Jozsi