Kidron, H.; Vellonen, K.-S.; del Amo, E. M.; Tissari, A.; Urtti, A. Prediction of the Corneal Permeability of Drug-Like Compounds. Pharm. Res. 2010, 27, 1398–1407.
Compound
| ID: | 49 | |
|---|---|---|
| Name: | Timolol | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1 |
Properties
perm: Corneal permeability [cm/s]
| Value | Source or prediction |
|---|---|
| 1.2E-5 |
experimental value |
logPapp: The logarithm of the corneal permeability [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -4.92 |
experimental value |
| -5.92 |
Eq.3b: Model for drug-like compounds at pH 7.4 (Trainig set) |
| -5.75 |
Eq.4b: Model for drug-like compounds at pH 8.0 (Trainig set) |