| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 22nd, 2006 | 23 | No |
Popular Name: Azaleatin Azaleatin
Find On: PubMed — Wikipedia — Google
CAS Numbers: 529-51-1 , [529-51-1]
2-(3,4-Dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-4H-chromen-4-one
5-Methoxy-3,3',4',7-tetrahydroxyflavone
| 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) | 1.96 | -0.59 | -23.45 | 4 | 7 | 0 | 120 | 316.265 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.96 | 0.19 | -51.78 | 3 | 7 | -1 | 123 | 315.257 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0742012A2 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOX4-1-E | NADPH Oxidase 4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 740 | 0.37 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOX4_HUMAN | Q9NPH5 | NADPH Oxidase 4, Human | 740 | 0.37 | Binding ≤ 1μM |
| NOX4_HUMAN | Q9NPH5 | NADPH Oxidase 4, Human | 740 | 0.37 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.