UCSF

ZINC69476392

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 15 No

Popular Name: (E)-Methyl 4-(4-bromophenyl)-2-oxobut-3-enoate (E)-Methyl 4-(4-bromophenyl)-2-o…

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CAS Numbers: 608128-34-3 , [608128-34-3]

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) 2.50 7.46 -5.84 0 3 0 43 269.094 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

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Rings

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

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