UCSF

ZINC01688320

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 14 No

Popular Name: Ethyl 3-oxo-3-(pyridin-3-yl)propanoate Ethyl 3-oxo-3-(pyridin-3-yl)prop…

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CAS Numbers: 6283-81-4 , 90922-54-6 , [6283-81-4]

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) 0.42 5.88 -12.87 0 4 0 56 193.202 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 151 - 153 Enamine Building Blocks
MP 151...153 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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

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