TABLE 3.

Water solubility of selected sPBTZ derivatives measured by shake flask method compared to solubility calculated using SwissADME^a

Compound	Solubility (μg/ml)		clogP
	Measured in water	Calculated in water
11326059	<0.01	0.12	2.6
11326127	<0.01	0.26	3.28
11626091	8.6 ± 3.8	4.69	1.91
11626092	10.7 ± 4.6	7.2	2
11626093	0.105 ± 0.05	0.93	2.69
11626094	0.088 ± 0.04	0.18	3.1
11626095	10.6 ± 1.8	16.9	1.36
PBTZ169	31.1 ± 6.4	0.0795	4.31

^aDaina et al. (26).