UCSF

ZINC39415889

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 14 Yes

Popular Name: Ethyl 1H-benzo[d]imidazole-7-carboxylate Ethyl 1H-benzo[d]imidazole-7-car…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 167487-83-4 , 407634-05-3 , [167487-83-4]

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) 1.59 5.85 -15.52 1 4 0 55 190.202 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID US3985563; US3988155; WO1995003298A1 IBM Patent Data

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

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