| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 31st, 2006 | 25 | No |
3,6-Dimethoxy-5,7,3',4'-tetrahydroxyflavone
5188-73-8; Axillarin; C10021; Quercetagetin 3,6-dimethyl ether
| 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) | 1.98 | -0.42 | -15.15 | 4 | 8 | 0 | 130 | 346.291 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.98 | 0.65 | -59.17 | 3 | 8 | -1 | 132 | 345.283 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDR-1-E | Aldose Reductase (cluster #1 Of 5), Eukaryotic | Eukaryotes | 28 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDR_RAT | P07943 | Aldose Reductase, Rat | 27.9898132 | 0.42 | Binding ≤ 1μM |
| ALDR_RAT | P07943 | Aldose Reductase, Rat | 27.9898132 | 0.42 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Pregnenolone biosynthesis |
