Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for human serum albumin binding. Q13-59-0008. Molcode Ltd., 2009.
Compound
| ID: | 22 | |
|---|---|---|
| Name: | Acebutolol | |
| Description: | ||
| Labels: | ||
| CAS: | 37517-30-9 | |
| InChi Code: | InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23) |
Properties
logK: HPLC chromatographic retention index on immobilized albumin [mM]
| Value | Source or prediction |
|---|---|
| -0.21 |
experimental value |
| -0.282 |
QSAR: Model for in vitro protein binding assay (Training set) |