UCSF

ZINC06898253

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2006 20 No

Popular Name: 3-(2,3-dimethoxyphenyl)-1-phenyl-prop-2-en-1-one 3-(2,3-dimethoxyphenyl)-1-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) 3.45 2.82 -12.42 0 3 0 35 268.312 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 2000 0.40 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50587 Z50587 Homo Sapiens 2000 0.40 Functional ≤ 10μM

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