| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 27th, 2008 | 28 | Yes |
Popular Name: 7-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-(4-hydroxyphenyl)chromen-4-one 7-[2-[2-(2-hydroxyethoxy)ethoxy]…
| 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) | 2.06 | 3.24 | -17.56 | 2 | 7 | 0 | 98 | 386.4 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDH2-1-E | Aldehyde Dehydrogenase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 40 | 0.37 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDH2_HUMAN | P05091 | Aldehyde Dehydrogenase, Human | 40 | 0.37 | Binding ≤ 1μM |
| ALDH2_HUMAN | P05091 | Aldehyde Dehydrogenase, Human | 40 | 0.37 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Ethanol oxidation | |
| Metabolism of serotonin |
