Table 1 Summary of model parameters used in simulations.

Molecular weight

g/mol

627.73^a

522.57^a

Dosage form

Capsule

Tablet

logP

4.59^a

2.28^a

pKa (acid)

17.89^a

12.94^a

fu (plasma)

%

65%^a

0.2%^a

Aqueous solubility

mg/mL

1.8^a

0.063^a

R_bp

fold

3.08^b

0.4^b

P_eff

cm/s * 10⁴

1^b

2^b

P-gp V_max

10^c

P-gp K_m

μM

1.0^c