UCSF

ZINC13406654

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 32 No

Popular Name: 2-[4-[(E)-3-oxo-3-phenyl-prop-1-enyl]phenoxy]ethyl 2-[4-[(E)-3-oxo-3-phenyl-prop-1-…

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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) 6.04 14.13 -14.97 0 5 0 62 428.484 11 ↓

Vendor Notes

Note Type Comments Provided By
mp 141 - 142 MolMall (formerly Molecular Diversity Preservation International)

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Rings

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

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