Table 4. In Vitro and in Silico Determined Properties.

	in vitro				in silico
compd	solubility (μM) pH 7.4	Caco-2 permeability Papp (10–6 cm/s)a a–bb	Clint (μL/min/mg)c	t1/2d (min)	pKae	log D7.4
12	5	4.0	16	88	4.8	4.4
13	n.d.f	1.0 ± 0.1	12	117	4.1	3.8
14	37	5.7 ± 0.5	25	55	4.4	3.9
18L	43	9.7 ± 0.9	80	17	4.3	4.5
23	31	0.36 ± 0.3	7	194	4.2	4.1
2	101	1.0 ± 0.7	66	21	5.8	4.0

^aP_app = apparent permeability coefficient.

^ba–b = apical to basolateral.

^cCl_int = in vitro intrinsic clearance.

^dt_1/2 = in vitro half-life.

^eAcidic pK_a (acyl sulfonamide).

^fn.d. = not determined.