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Table 2 Predicted and measured physicochemical properties of the candidates

From: Design and tests of prospective property predictions for novel antimalarial 2-aminopropylaminoquinolones

  1. logP logarithm of the octanol:water partition coefficient, logD6.8 logP at pH 6.8, obsd observed, pKa1 negative logarithm of the first dissociation constant, pKa2 negative logarithm of second dissociation constant, RMSE, root mean squared error, S+ denotes a proprietary model from Simulations Plus, Inc., Sw aqueous solubility