UCSF

ZINC67456430

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 25 Yes

Popular Name: (1S,4R,5S,6R)-6-[(2-imidazol-1-ylphenyl)methylcarbamoyl]bicyclo[2.2.1]hept-2-ene-5-carboxylic (1S,4R,5S,6R)-6-[(2-imidazol-1-y…

Find On: PubMed — Wikipedia — Google

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) 1.55 10.89 -51.04 1 6 -1 87 336.371 5 ↓
Lo Low (pH 4.5-6) 1.55 9.14 -17.25 2 6 0 84 337.379 5 ↓
Lo Low (pH 4.5-6) 1.55 11.74 -62.95 2 6 0 88 337.379 5 ↓
Lo Low (pH 4.5-6) 1.55 9.97 -44.09 3 6 1 85 338.387 5 ↓

Activity (Go SEA)

Rings

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

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