Table 1.

The calculated logP of 2-APB derived from MD simulations by using two polarizable models.

Simulation time (ns)	logP
	Explicit	Implicit	Exp.
300	1.851 ± 0.009	1.530 ± 0.017	2.1–2.6
350	1.906 ± 0.014	1.584 ± 0.014
400	1.946 ± 0.013	1.636 ± 0.012
700	1.891 ± 0.006	1.815 ± 0.005
740	1.911 ± 0.006	1.826 ± 0.005
780	1.929 ± 0.007	1.842 ± 0.004