UCSF

ZINC01039154

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 21 Yes

Popular Name: 5,7-Bis(trifluoromethyl)-3-cyano-2-(methylthio)-pyrazolo[1,5-a]pyrimidine 5,7-Bis(trifluoromethyl)-3-cyano…

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CAS Numbers: 174842-48-9 , [174842-48-9]

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) 3.46 5.78 -7.63 0 4 0 53 326.225 3 ↓

Vendor Notes

Note Type Comments Provided By
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.