UCSF

ZINC00967464

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2004 7 Yes

Popular Name: 2-iodo-1-methyl-1H-imidazole 2-iodo-1-methyl-1H-imidazole

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CAS Numbers: 37067-95-1 , [37067-95-1]

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) 1.40 3.97 -6.27 0 2 0 18 208.002 0 ↓
Mid Mid (pH 6-8) 1.40 4.49 -27.2 1 2 1 19 209.01 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 79-82? Alfa-Aesar
Melting_Point 79-82° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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