UCSF

ZINC39363557

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 16 Yes

Popular Name: 2-(4-trifluoromethylphenyl)piperazine 2-(4-trifluoromethylphenyl)piper…

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CAS Numbers: 185110-19-4 , [185110-19-4]

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) 1.87 4.82 -131.58 4 2 2 33 232.249 2 ↓
Hi High (pH 8-9.5) 1.87 3.49 -41.55 3 2 1 29 231.241 2 ↓
Hi High (pH 8-9.5) 1.87 2.36 -2.53 2 2 0 24 230.233 2 ↓
Hi High (pH 8-9.5) 1.87 3.72 -43.1 3 2 1 29 231.241 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings Corrosive Matrix Scientific
Warnings IRRITANT Matrix Scientific

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