| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2005 | 30 | No |
| 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) | 0.77 | -2.52 | -16.89 | 5 | 9 | 0 | 150 | 416.382 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| M.P. | 230-238 C | Indofine |
| MP | 230-238o C | Indofine |
| SOLUBILITY | Soluble in DMSO | Indofine |
| Purity | ¡Ý99.0% ( HPLC ) | APIChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDH2-1-E | Aldehyde Dehydrogenase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 80 | 0.33 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDH2_HUMAN | P05091 | Aldehyde Dehydrogenase, Human | 40 | 0.35 | Binding ≤ 1μM |
| ALDH2_HUMAN | P05091 | Aldehyde Dehydrogenase, Human | 40 | 0.35 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Ethanol oxidation | |
| Metabolism of serotonin |
