UCSF

ZINC00057868

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 Yes

Popular Name: 6,3'-Dimethylflavone 6,3'-Dimethylflavone

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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) 4.59 9.62 -9.83 0 2 0 30 250.297 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 137-138.5o C Indofine
M.P. 137-139 C Indofine
SOLUBILITY Soluble in Chloroform Indofine
APPEARANCE White powder Indofine

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104301-4-O GABA-A Receptor; Anion Channel (cluster #4 Of 8), Other Other 29 0.56 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104301 Z104301 GABA-A Receptor; Anion Channel 29 0.56 Binding ≤ 1μM
Z104301 Z104301 GABA-A Receptor; Anion Channel 29 0.56 Binding ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.