Table 2.

Physicochemical parameters used in the PBPK models.

Substance	Dose [mg/kg]	Fu	Lipophilicity	Molecular weight [g/mol]
Caffeine	5	0.8515 ,***	−0.07	194.19
Paraxanthine	—	0.85	−0.63*	180.16
Midazolam	2	0.04630	3.33*	325.77
1′-Hydroxymidazolam	—	0.0125**	3.09*	341.77
Torsemide	2	0.0131 ,***	2.3	348.42
Hydroxytorsemide	—	0.01	0.75*	364.41
Codeine	2	0.731 ,***	1.54**	299.36
Talinolol	1	0.3931 ,***	2.3*	363.49
Pravastatin	20	0.531 ,***	1.65*	424.53

*Literature **optimized ***human value.