UCSF

ZINC02522121

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 19 Yes

Popular Name: 1-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid 1-(4-methylphenyl)-5-(trifluorom…

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CAS Numbers: 98534-84-0 , [98534-84-0]

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) 2.74 6.48 -47.22 0 4 -1 58 269.202 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 151-155° Fluorochem
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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

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