Table 2.
Parameter | Values |
---|---|
Log P | a 2.27 |
Molecular Weight (g/mol) | a 474.59 |
Ionization Constant | (pKa) 6.5 |
Solubility (mg/mL) | a 6.965 (pH = 3) |
Diffusion Coefficient (cm2 /sec × 10−5) | a 0.58 × 10−5 |
Papp (Caco-2) | a 7.077 (pH = 4) |
Jejunal Effective Permeability (Peff) (×10−4 cm/s) | a 3.48 × 10−4 |
Unbound Percent in Human Plasma (Fup %) | a 28.10 |
Human Blood-to-Plasma Concentration Ratio (Rbp) | 1.65 |
a is referring to using ADMET predictor in GastroPlus™ (version 9.8, Simulation Plus, Inc., Lancaster, CA, USA).