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:	26
	Name:	Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, (11.beta.)-
	Description:
	Labels:
	CAS:	50-23-7
	InChi Code:	InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1

Properties

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

Value	Source or prediction
-0.4	experimental value
-0.225	QSAR: Model for in vitro protein binding assay (Training set)