UCSF

ZINC04025223

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 18 Yes

Popular Name: Ethyl 2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate Ethyl 2-(trifluoromethyl)imidazo…

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CAS Numbers: 108438-46-6 , [108438-46-6]

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) 2.88 7.33 -13.01 0 4 0 44 258.199 4 ↓
Mid Mid (pH 6-8) 2.88 7.74 -32.66 1 4 1 45 259.207 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 101 - 102 KeyOrganics
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.