UCSF

ZINC44994917

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 15 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) -0.95 0.74 -51.02 2 6 1 76 211.245 3
Hi High (pH 8-9.5) -0.95 -0.55 -12.56 1 6 0 71 210.237 3

Activity (Go SEA)

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

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