UCSF

ZINC49585010

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 11 Yes

Popular Name: 4-iodo-5-methyl-3-(trifluoromethyl)-1H-pyrazole 4-iodo-5-methyl-3-(trifluorometh…

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CAS Numbers: 10010-93-2 , 855343-07-6 , [855343-07-6]

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) 2.69 3.53 -2.69 1 2 0 29 275.999 1 ↓
Ref Reference (pH 7) 2.69 3.43 -5.45 1 2 0 29 275.999 1 ↓
Hi High (pH 8-9.5) 2.69 3.3 -30.05 0 2 -1 27 274.991 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.