UCSF

ZINC02475956

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 14 Yes

Popular Name: 1-butyl-1H-benzimidazol-2-amine 1-butyl-1H-benzimidazol-2-amine

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CAS Numbers: 91337-45-0 , [91337-45-0]

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) 2.74 8.22 -26.46 3 3 1 45 190.27 3 ↓
Mid Mid (pH 6-8) 2.74 7.75 -8.64 2 3 0 44 189.262 3 ↓

Vendor Notes

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

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