UCSF

ZINC34357010

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 34 No

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) 4.46 10.71 -14.17 1 5 0 67 463.618 5
Lo Low (pH 4.5-6) 4.46 11.5 -80.89 2 5 0 68 464.626 5

Activity (Go SEA)

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