UCSF

ZINC40448414

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 13 Yes

Popular Name: 1-Methyl-1H-benzimidazole-6-carboxylic acid 1-Methyl-1H-benzimidazole-6-carb…

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CAS Numbers: 53484-18-7 , [53484-18-7]

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) 1.38 6.38 -51.72 0 4 -1 58 175.167 1 ↓
Mid Mid (pH 6-8) 1.38 6.86 -62.75 1 4 0 59 176.175 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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Rings

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

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