UCSF

ZINC13827263

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 19 No

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

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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) 4.20 10.69 -10.83 0 2 0 26 252.313 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50587-4-O Homo Sapiens (cluster #4 Of 9), Other Other 609 0.46 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50587 Z50587 Homo Sapiens 609 0.46 Functional ≤ 10μM

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