UCSF

ZINC06344456

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2006 25 Yes

CAS Number: 139051-78-8

Other Names:

BRD-A28422058-001-01-0

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.77 -3.44 -48.23 3 6 -1 93 379.223 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )