ACD/LogP DB
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Quickly and accurately
predict the octanol-water
partition coefficient for a
wide range of molecules.
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The octanol-water partition coefficient (P) (also referred to as Kow) is a measure of the propensity of a neutral compound to differentially dissolve in these immiscible phases. It is usually referred to as the logarithmic ratio, logP and serves as a quantitative descriptor of lipophilicity.
LogP has many applications:
- It is commonly used in QSAR studies and drug design since it relates to drug absorption, bioavailability, metabolism, and toxicity
- In environmental studies logP helps determine the transport of chemicals through the environment
- In broader fields such as agrochemical, and flavors and fragrances research it helps scientists develop new products with the desired behavior in terms of deposition, flavor perception and environmental impact.
With ACD/LogP DB, you can obtain accurate values of logP (in octanol/water, calculated under standard conditions, at 25 °C) and review an extensive library of experimental logP data.
LogP vs. LogD
LogP represents the partition coefficient for neutral species, and is not an appropriate descriptor for partially dissociated compounds. Instead, the distribution coefficient (D) is the key parameter. ACD/LogD predicts the partition coefficient of an ionizable compound at a particular pH. The unique logD algorithm is also capable of treating partially-dissociated mixtures.
(Application note: Lipophilicity Descriptors: Understanding When to Use LogP and LogD)
ACD/LogP DB is available as a part of ACD/PhysChem Suite which includes the full range of ACD/Labs physicochemical and molecular property predictors including logD, pKa, aqueous solubility, boiling point, sigma, and more.
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