UCSF

ZINC29047795

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 22 No

Popular Name: 1-phenyl-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione 1-phenyl-2-(3,4,5-trimethoxyphen…

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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) 2.24 7.11 -7.67 0 5 0 62 300.31 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80928-6-O HCT-116 (Colon Carcinoma Cells) (cluster #6 Of 9), Other Other 3000 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80928 Z80928 HCT-116 (Colon Carcinoma Cells) 3000 0.35 Functional ≤ 10μM

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