UCSF

ZINC73639830

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2012 12 Yes

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) 0.39 0.01 -8.56 5 4 0 81 162.196 0
Mid Mid (pH 6-8) 0.39 0.01 -9.37 5 4 0 81 162.196 0
Mid Mid (pH 6-8) 0.39 0.45 -27.55 6 4 1 82 163.204 0

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.