UCSF

ZINC15022021

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 7 Yes

Popular Name: 4-iodo-3-methyl-1h-pyrazole 4-iodo-3-methyl-1h-pyrazole

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CAS Numbers: 1453-58-3 , 15802-75-2 , [15802-75-2]

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) 1.55 2.59 -3.92 1 2 0 29 208.002 0 ↓
Ref Reference (pH 7) 1.55 2.62 -4.35 1 2 0 29 208.002 0 ↓

Vendor Notes

Note Type Comments Provided By
BP 292-293° Oakwood Chemical
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.