UCSF

ZINC06795163

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 30 Yes

CAS Number: 4449-51-8

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) 5.48 9.64 -42.1 3 3 1 46 412.638 0

Activity (Go SEA)

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