UCSF

ZINC04242086

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 17 No

Popular Name: (2E)-1-(4-bromophenyl)-3-phenylprop-2-en-1-one (2E)-1-(4-bromophenyl)-3-phenylp…

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CAS Numbers: 22966-23-0 , 2403-27-2 , [2403-27-2]

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) 4.62 1.51 -6.55 0 1 0 17 287.156 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 104 - 106 Enamine Building Blocks
MP 104...106 Enamine Building Blocks
mp 186 - 187 MolMall (formerly Molecular Diversity Preservation International)
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50422-5-O Entamoeba Histolytica (cluster #5 Of 5), Other Other 1390 0.48 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50422 Z50422 Entamoeba Histolytica 1390 0.48 Functional ≤ 10μM

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