UCSF

ZINC02382639

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 7 Yes

Popular Name: 4-Iodo-1-methyl-1H-imidazole 4-Iodo-1-methyl-1H-imidazole

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CAS Numbers: 71759-87-0 , 871333-96-9 , [71759-87-0] , [871333-96-9]

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) 1.20 4.75 -6.88 0 2 0 18 208.002 0 ↓
Mid Mid (pH 6-8) 1.20 5.27 -31.31 1 2 1 19 209.01 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% 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.