UCSF

ZINC12956226

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 8 No

Popular Name: 4-Methyl-1H-imidazole-2-carbaldehyde 4-Methyl-1H-imidazole-2-carbalde…

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CAS Numbers: 113825-16-4 , 116825-16-4

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) 0.04 1.56 -14.11 1 3 0 46 110.116 1 ↓
Mid Mid (pH 6-8) 0.04 1.97 -33.5 2 3 1 47 111.124 1 ↓

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% )

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