UCSF

ZINC00113392

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Popular Name: 2-Benzyl-1H-benzoimidazole 2-Benzyl-1H-benzoimidazole

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CAS Numbers: 1212-48-2 , 621-72-7 , [1212-48-2] , [621-72-7]

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 3.50 7.63 -8.83 1 2 0 29 208.264 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
biological_use Antihypertensive agent IBScreen Bioactives
biological_use Coronary vasodilator IBScreen Bioactives IBScreen Bioactives
biological_use Hypotensive IBScreen Bioactives
Warnings IRRITANT Matrix Scientific
biological_use Spasmolytic IBScreen Bioactives
PUBCHEM_PATENT_ID US4662905 IBM Patent Data
mechanism Vasodilator IBScreen Bioactives IBScreen Bioactives

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