UCSF

ZINC08809360

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 27 No

Popular Name: 4-[(E)-3-(4-bromophenyl)-3-oxo-1-propenyl]phenyl 2-chlorobenzenecarboxylate 4-[(E)-3-(4-bromophenyl)-3-oxo-1…

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CAS Number: 306732-32-1

Other Names:

MFCD00169447

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) 6.78 2.94 -12.76 0 3 0 43 441.708 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 136 - 138 KeyOrganics

Activity (Go SEA)

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