UCSF

ZINC44962836

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 21 Yes

CAS Number: 1446-61-3

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) 5.02 9.73 -47.7 3 1 1 28 286.483 3

Activity (Go SEA)

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