TABLE 3

Water solubility of selected sPBTZ derivatives measured by shake flask method compared to solubility calculated using SwissADMEa

CompoundSolubility (μg/ml)clogP
Measured in waterCalculated in water
11326059<0.010.122.6
11326127<0.010.263.28
116260918.6 ± 3.84.691.91
1162609210.7 ± 4.67.22
116260930.105 ± 0.050.932.69
116260940.088 ± 0.040.183.1
1162609510.6 ± 1.816.91.36
PBTZ16931.1 ± 6.40.07954.31
  • a Daina et al. (26).