Estimation of logP Values

The hydrophobicity or lipophihdty of compounds is described as estimated 1-octa-nol/water partition coefficient (logP) [13, 15]. lipophihdty is a very important property of a drug compound, because to penetrate a cell membrane passively the drug s logP value must be within a narrow range. 

Different computer programs use different parameter tables, and thus differ in their results. Nevertheless, most of the existing software packages for logP calculation arrive at satisfactory results. 

Basicity or acidity are estimated by using topology-based increment systems. No software package is available so far that is able to predict basicity precisely for arbitrary structures. Basicity is a very important drug property, and therefore also a very rough estimation of pJ A values is useful in describing a library. 

---