Figure 6.

Prediction of intrinsic permeability coefficients through different membrane systems. Plot of experimental vs calculated permeability coefficients through BLM (A), PAMPA-DS (B), BBB (C), and Caco-2/MDCK cells (D). The formula above each panel relates the calculated intrinsic log P_0calc values for each systems and the integral $\text{log}{P}_{\Sigma }^{\text{BLM}}$ values of molecules in the neutral state determined by integration of eq 6. Dashed lines indicate the ideal line and residual line limits with cutoffs of |3.2| (A and B) and |2.0| (C and D). Colored circles indicate different charge classes of molecules: red for acids, blue for bases, gray for neutral molecules, and yellow for zwitterions. The number of molecules “n” is indicated in parentheses.