UCSF

ZINC00154055

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 15 Yes

Popular Name: 3-(3-Trifluoromethylphenyl)propionic acid 3-(3-Trifluoromethylphenyl)propi…

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CAS Numbers: 585-50-2 , [585-50-2]

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) 2.75 3.28 -45.21 0 2 -1 40 217.166 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 29-31° Matrix Scientific
Melting_Point 34-37? Alfa-Aesar
Melting_Point 34-37° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings Irritant Matrix Scientific

Activity (Go SEA)

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