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. Author manuscript; available in PMC: 2021 Apr 1.
Published in final edited form as: J Comput Aided Mol Des. 2019 Dec 19;34(4):405–420. doi: 10.1007/s10822-019-00271-3

Figure 1. Potentiometric log P measurements are based on a model of ionization and partitioning equilibria [50].

Figure 1.

Measurements of the pKa and apparent pKa (poKa) at three octanol-water volumetric ratios (log R) are performed to estimate the partition coefficients of neutral and ionized species, log P0 and log P−1, respectively. An ionization and partitioning equilibria model, along with estimated potentiometric titration curves, are shown for a monoprotic acid in this figure.