UCSF

ZINC02529806

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 7 Yes

Popular Name: 4-Bromo-2-methyl-1H-imidazole 4-Bromo-2-methyl-1H-imidazole

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CAS Numbers: 16265-11-5 , [16265-11-5]

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) 0.95 2.49 -7.3 1 2 0 29 161.002 0 ↓
Ref Reference (pH 7) 0.95 2.48 -4.86 1 2 0 29 161.002 0 ↓
Mid Mid (pH 6-8) 0.95 2.92 -29.63 2 2 1 30 162.01 0 ↓
Lo Low (pH 4.5-6) 0.95 2.95 -29.52 2 2 1 30 162.01 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 98% Matrix Scientific
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.