UCSF

ZINC27992048

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2009 22 Yes

Popular Name: 8-iodo-5,7-dimethoxy-2-phenyl-chromen-4-one 8-iodo-5,7-dimethoxy-2-phenyl-ch…

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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) 4.76 9.33 -11.7 0 4 0 49 408.191 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80166-1-O HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other Other 2600 0.36 Functional ≤ 10μM
Z80470-1-O SGC-7901 (Gastric Carcinoma Cells) (cluster #1 Of 2), Other Other 2200 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80166 Z80166 HT-29 (Colon Adenocarcinoma Cells) 2600 0.36 Functional ≤ 10μM
Z80470 Z80470 SGC-7901 (Gastric Carcinoma Cells) 2200 0.36 Functional ≤ 10μM

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