Table 1 Input parameters used in GastroPlus™ to simulate plasma concentrations
From: In silico prediction of bioequivalence of atorvastatin tablets based on GastroPlus™ software
Parameters | Value | Data Source |
|---|---|---|
Molecular weight | 558.65 | GastroPlus Predicted |
Log P | 4.434 | GastroPlus Predicted |
pKa | 4.71 | GastroPlus Predicted |
Rbp | 7.61 | Optimized |
Fu | 0.0504 | GastroPlus Predicted |
Caco-2 permeability (cm/s×10− 6) | 2.08 | Ref. [29] |
Peff (cm/s×10− 4) | 1.536 | GastroPlus Predicted based on Caco-2 data |