UCSF

ZINC70316948

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2011 20 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) -0.05 5.47 -95.46 4 5 2 62 285.432 5
Hi High (pH 8-9.5) -0.05 3.58 -52.11 3 5 1 60 284.424 5

Activity (Go SEA)

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

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