UCSF

ZINC13406599

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 27 No

Popular Name: [4-[(E)-3-oxo-3-phenyl-prop-1-enyl]phenyl] [4-[(E)-3-oxo-3-phenyl-prop-1-en…

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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) 5.77 13.47 -15.42 0 4 0 53 358.393 7 ↓

Vendor Notes

Note Type Comments Provided By
mp 114 - 115 MolMall (formerly Molecular Diversity Preservation International)
mp 90 - 92 MolMall (formerly Molecular Diversity Preservation International)

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Rings

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