UCSF

ZINC40952324

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 18 No

Popular Name: (E)-3-(2-ethylphenyl)-1-phenyl-prop-2-en-1-one (E)-3-(2-ethylphenyl)-1-phenyl-p…

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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) 4.50 10.5 -7.54 0 1 0 17 236.314 4 ↓

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 1790 0.45 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50422 Z50422 Entamoeba Histolytica 1790 0.45 Functional ≤ 10μM

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