UCSF

ZINC44992258

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 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) -0.46 5.44 -49.58 2 5 1 57 296.416 5
Hi High (pH 8-9.5) -0.46 4.06 -12.33 1 5 0 53 295.408 5

Activity (Go SEA)

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

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