UCSF

ZINC05459511

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 11 Yes

CAS Number: 52957-12-7

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) 3.37 -0.39 -2.57 1 1 0 20 156.269 7

Activity (Go SEA)

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