UCSF

ZINC40448060

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 10 Yes

Popular Name: 5-Chloro-3-(trifluoromethyl)-1H-pyrazole 5-Chloro-3-(trifluoromethyl)-1H-…

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CAS Numbers: 1003320-19-1 , 131797-35-8 , [1003320-19-1] , [131797-35-8]

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) 2.26 2.32 -3.09 1 2 0 29 170.521 1 ↓
Ref Reference (pH 7) 2.25 2.34 -2.67 1 2 0 29 170.521 1 ↓
Hi High (pH 8-9.5) 2.25 2.19 -28.86 0 2 -1 27 169.513 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

Rings

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

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