UCSF

ZINC01383702

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 28 No

Popular Name: (E)-3-{4-[(4-bromobenzyl)oxy]phenyl}-N-(3-methoxyphenyl)-2-propenamide (E)-3-{4-[(4-bromobenzyl)oxy]phe…

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CAS Number: 477889-44-4

Other Names:

MFCD02186082

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) 5.96 0.09 -14.62 1 4 0 47 438.321 7 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 159 - 161 KeyOrganics

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Rings

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

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