UCSF

ZINC01388075

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 14 Yes

Popular Name: 4-(1H-Imidazol-2-yl)benzoic acid 4-(1H-Imidazol-2-yl)benzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 108035-45-6 , 210962-27-9 , 6925-00-4 , [108035-45-6]

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) 1.95 5.55 -50.98 1 4 -1 69 187.178 2 ↓
Mid Mid (pH 6-8) 1.95 6.07 -65.2 2 4 0 70 188.186 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
melting_point > 325 SUBLIMES KeyOrganics
MP >300° Oakwood Chemical

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

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