Jan 6, 2024 · LogP: A Measure of Lipophilicity LogP measures the logarithm of ration between the concentration of a compound in a non-polar solvent and in water. It is common practice to …

LogP and PSA are two key parameters that provide valuable insights into a compound’s lipophilicity and polar surface area. Optimizing the LogP value enables molecules to have the …

Adding the calculated LogP (ClogP) to the QSAR equation gave more accurate results, essentially adding a lipophilicity term to the hydrogen bonding and polarity terms inherent in PSA.

Topological polar surface area (TPSA), which makes use of functional group contributions based on a large database of structures, is a convenient measure of the polar surface area that …

Log P值取决于中性分子在两相中的分配情况，而Log D值取决于以中性形式存在的分子分配情况，加上以离子形式存在的分子分配情况。 离子与极性水相的亲合力比与非极性有机相的亲合 …

Over time, commonly used physicochemical properties, including MW, lipophilicity (LogP and LogD 7.4), PSA, hydrogen bond donors and acceptors, heteroaromatic ring count and QED, …

The logP value of a compound, which is the logarithm of its partition coefficient between n-octanol and water log (c octanol /c water), is a well established measure of the compound's …

Octanol-water partition coefficient logP is used in QSAR studies and rational drug design as a measure of molecular hydrophobicity. Hydrophobicity affects drug absorption, bioavailability, …

Molecular polar surface area (PSA) is a very useful parameter for prediction of drug transport properties. Polar surface area is defined as a sum of surfaces of polar atoms (usually oxygens, …

PSA has been shown to be a very good descriptor characterizing drug absorption, including intestinal absorption, bioavailability, Caco-2 permeability and blood-brain barrier penetration. …