This article highlights the use of ACD/pKa to obtain computed pKa values for the pyrimidines and related heterocycles in this QSAR study; and also tests the software’s ability to estimate pKas for these compounds.
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This article highlights the use of ACD/pKa to obtain computed pKa values for the pyrimidines and related heterocycles in this QSAR study; and also tests the software’s ability to estimate pKas for these compounds.