ACD/LogD
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Quickly and accurately
predict the octanol-water
distribution coefficient for
compounds containing one
or more ionizable groups.
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If a compound contains one or more ionizable groups, it may exist in solution as a mixture of different ionic forms. The composition of this mixture depends strongly on pH.
Since logP is defined only for neutral species, the effective partition coefficient for dissociative systems, also known as the octanol-water distribution coefficient, D, (typically used in its logarithmic form, logD) gives the correct description of complex partitioning equilibria.
LogD reflects the true behavior of an ionizable compound in a solution at a given pH value or range, taking into account all the different ionized species present. This parameter is exceptionally useful in evaluating the pH-dependant behavior such as pharmacokinetics, and environmental fate.
Download our poster—“The rule of 5 revisited. Using logD in place of logP in drug-likeness filters”
ACD/LogD is available as a part of ACD/PhysChem Suite which includes the full range of ACD/Labs physicochemical and molecular property predictors including logP, pKa, aqueous solubility, boiling point, sigma and more.
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