TABLE 5.
Molecule | ΔGsol* (kcal/mol ) | Kcalc† (cm/s) | Kexp‡ (cm/s) |
---|---|---|---|
Progesterone | −3.2 | 2.4 × 10−5 | 2.4 × 10−5 |
Testosterone | −0.9 | 3.7 × 10−5 | 2.5 × 10−5 |
Estradiol | 0.3 | 3.0 × 10−5 | 1.7 × 10−5 |
The water-to-hexane transfer free energy of the hormones (Eq. 1).
The calculated transfer rate across a membrane of width of 30 Å.
Experimental transfer rates, measured across Caco-2 cells (Faassen et al., 2003).