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. 2021 Sep 2;17(9):5777–5791. doi: 10.1021/acs.jctc.1c00322

Figure 12.

Figure 12

Membrane–water partition coefficients (log KMW) for alkyl sulfates (chain lengths 8, 10, 12, and 13) and sulfonates (chain lengths 8, 10, and 12–14), with models generated with predefined fragment matching (solid lines) and with the standard mapping procedure (dashed lines). In all cases, increasing the chain length increases log KMW.