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:56
Name:L-Tryptophan
Description:
Labels:
CAS:73-22-3
InChi Code:InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1

Properties

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

ValueSource or prediction
-0.78

experimental value

-0.407

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