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: | 68 | |
|---|---|---|
| Name: | Ondansetron | |
| Description: | ||
| Labels: | ||
| CAS: | 99614-02-5 | |
| InChi Code: | InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3 |
Properties
logK: HPLC chromatographic retention index on immobilized albumin [mM]
| Value | Source or prediction |
|---|---|
| 0.37 |
experimental value |
| 0.236 |
QSAR: Model for in vitro protein binding assay (Training set) |