UCSF

ZINC17046849

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 12 No

CAS Number: 6713-41-3

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) 0.62 1.79 -5.85 1 3 0 46 165.192 0

Activity (Go SEA)

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