UCSF

ZINC02571190

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 20 Yes

Popular Name: 4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzoic acid 4-{[5-(trifluoromethyl)pyridin-2…

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CAS Numbers: 773108-67-1 , [773108-67-1]

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) 3.60 6.34 -47.63 0 4 -1 62 282.197 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 123 - 125 Enamine Building Blocks
Melting_Point 211-213? Alfa-Aesar
Melting_Point 211-213° Alfa-Aesar
MP 218 - 220 Enamine Building Blocks
MP 218...220 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

Activity (Go SEA)

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