Abraham, M. H.; Ibrahim, A.; Zhao, Y.; Acree, W. E. A data base for partition of volatile organic compounds and drugs from blood/plasma/serum to brain, and an LFER analysis of the data. J. Pharm. Sci. 2006, 95, 10, 2091–2100.

Compound

	ID:	298
	Name:	Verapamil
	Description:
	Labels:	Plasma, in_vivo
	CAS:
	InChi Code:	InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3

Properties

logBB: Blood-brain distribution

Value	Source or prediction
-0.24	experimental value
-0.116	Eq2: Model for drug-like chemicals, in vivo (Training set)
-0.0701	Eq5: Model for all chemicals, in vivo and in vitro (Training set)

Links to External Resources

Link	Resource description
DTXSID9041152	US EPA CompTox Dashboard