The acid dissociation constant, Ka, is a measure of the tendency of a molecule or ion to keep a proton (H+) at its ionization center(s). It is related to the ionization ability of a chemical species and is a core property that defines chemical and biological behaviour. The pKa prediction module in ACD/Percepta offers a number of useful features depending on the selected prediction algorithm, however, all provide:
The pKa prediction module offers two different predictive algorithms within ACD/Percepta software—Classic and GALAS
A reference database containing high quality experimental data compiled from the literature for nearly 16,000 individual chemical compounds is also available. Check pKa values that have been reported for molecules in related chemical space.
The Percepta prediction modules are available as bundles to offer cost savings for multiple modules, and provide related modules as a package. Contact us for more information on the product suite that is right for you.