Oja, M.; Maran, U. The permeability of artificial membrane for the wide range of pH in human gastrointestinal tract: experimental measurements and quantitative structure-activity relationship. Mol. Inf. 2015, 34, 493–506.
Compound
| ID: | 61 | |
|---|---|---|
| Name: | Bicalutamide | |
| Description: | ||
| Labels: | pH7.4, Neutral | |
| CAS: | 90357-06-5 | |
| InChi Code: | InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/t17-/m0/s1 |
Properties
logPeff: Highest logarithmic effective membrane permeability for pH range 3 to 9 [log(cm/s)] i
| Value | Source or prediction |
|---|---|
| -6.53 |
experimental value |
| -6.87 |
Eq4: QSAR model for permeability of drugs and drug-like compounds (External validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2022678 | US EPA CompTox Dashboard |