UCSF

ZINC12954344

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 15 Yes

Popular Name: 3-[2-(Trifluoromethyl)phenyl]propanoic acid 3-[2-(Trifluoromethyl)phenyl]pro…

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CAS Numbers: 94022-99-8 , [94022-99-8]

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) 2.73 6.38 -49.89 0 2 -1 40 217.166 4 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 79-86? Alfa-Aesar
Melting_Point 79-86° Alfa-Aesar
Purity 95% Fluorochem

Activity (Go SEA)

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