Figure 7.

Free energies of partitioning (A) from water to a POPC bilayer, ΔG_part^◦, and (B) from water to cyclohexane, ΔG_part. Where available, experimentally determined values are shown in part A (all steroids shown in Figure 6); for the rest of the steroids, PMF-derived values are shown. Values in part B were obtained by TI. Error bars represent 95% confidence intervals for the ITC-derived values, and standard errors for the PMF- and TI-derived values. Bars without error bars represent experimental data from the literature for which no errors were available.^30,32,34,35 The coloring indicates the number of hydroxyl groups, long-tailed, or anionic steroids (see legend). The number of asterisks on top of the bars in part B indicates the number of carbonyl groups.