Parameter Input Reference
Dose 1000 [2]
Dosage form immediate release [2]
Molecular weight 129.17 ADMET Predictor 6
LogD(7.4) -3.37 [28]
Solubility 134.87 mg/mL @ pH=12.9 ADMET Predictor 6
Permeability Papp, total= 0.05x 10-5cm/s
Paracellular = .4467 x 10-4cm/s
Transcellular = 0.0001 x 10-4cm/s
ADMET Predictor 6Proctor, 2010)
pKa 10.17, 7.14 ADMET Predictor 6
Table 1: Inputs parameters used in control and post gastric bypass in the compound window of GastroPlus™.