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: | 82 | |
|---|---|---|
| Name: | 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl- | |
| Description: | ||
| Labels: | ||
| CAS: | 60-80-0 | |
| InChi Code: | InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3 |
Properties
logK: HPLC chromatographic retention index on immobilized albumin [mM]
| Value | Source or prediction |
|---|---|
| -0.69 |
experimental value |
| -0.252 |
QSAR: Model for in vitro protein binding assay (Test set) |