UCSF

ZINC14454648

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2008 19 Yes

CAS Number: 502-75-0

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) 5.44 8.83 -46.61 1 3 -1 60 271.421 14

Activity (Go SEA)

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