10967/227 - QDB Compounds

QsarDB Repository

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:33
Name:4(1H)-Pyrimidinone, 2,3-dihydro-6-propyl-2-thioxo-
Description:Structure (mol-file) and name does not match
Labels:
CAS:51481-61-9
InChi Code:InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)

Properties

logK: HPLC chromatographic retention index on immobilized albumin [mM]

ValueSource or prediction
-0.44

experimental value

-0.438

QSAR: Model for in vitro protein binding assay (Training set)