Partitioning

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https://docs.chemaxon.com/display/docs/Calculations+Plugins+MS

JClogP

Returns the octanol/water partition coefficient, which is used in QSAR analysis and rational drug design as a measure of molecular hydrophobicity. The calculation method is based on the publication of Viswanadhan at al. The logP value of a molecule is composed of the increment values of its atoms. Though, logP is generally calculated for the neutral molecule forms only, this function is able to handle ionic species as well, owing to the improved algorithm.

https://docs.chemaxon.com/display/docs/logP+Plugin

JClogD

Returns the octanol-water distribution coefficient of the compound at any pH value. Compounds having ionizable groups exist in solution as a mixture of different ionic forms. The ionization of those groups and so the ratio of the ionic forms depend on the pH. Since logP describes the hydrophobicity of one form only, the apparent logP value can be different.

https://docs.chemaxon.com/display/docs/logD+Plugin

 


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