UCSF

ZINC06050770

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2006 26 Yes

CAS Number: 403842-38-6

Other Names:

BRD-A00267231-001-01-1

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 -10.06 -16.96 4 9 0 125 361.402 5

Activity (Go SEA)

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