ACD/LogP DB

Key Capabilities

ACD/LogP DB calculates logP (octanol-water partition coefficient) for the neutral form of a molecule. The calculation is based on an algorithm that uses the experimental logP data from an internal training set of over 25,000 compounds.

The internal reference database, which can be used to search for experimental logP data collected from a variety of reliable sources, contains over 18,400 compounds. The database covers a diverse range of chemical classes, and provides references to the original research.

A number of related properties, including polar surface area (PSA), freely rotatable bonds (FRB), and Lipinski's "Rule-of-5" parameters are also calculated. In addition bioconcentration factor and the organic carbon adsorption coefficient for the neutral form of your compound is calculated.

Users can critically evaluate predicted results by reviewing the calculation protocol. Prediction accuracy can be further improved for novel or rare chemical classes through algorithm training with in-house experimental data, to expand the diversity of the predictive software.

ACD/LogP DB is a component of ACD/LogD Suite and ACD/LogD Sol Suite, which allow you to predict the octanol-water distribution coefficient at any pH, as well as pH-dependent solubility and other parameters.