UCSF

ZINC32919589

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 16 No

Popular Name: ethyl 3-(3,5-difluorophenyl)-3-oxopropanoate ethyl 3-(3,5-difluorophenyl)-3-o…

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CAS Numbers: 359424-42-3 , [359424-42-3]

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) 1.92 7.77 -12.97 0 3 0 43 228.194 5 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

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

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