| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2009 | 19 | No |
Popular Name: (2S,3R,4S,5R)-2-(hydroxymethyl)-1-octyl-piperidine-3,4,5-triol (2S,3R,4S,5R)-2-(hydroxymethyl)-…
| 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) | 1.30 | 0.11 | -33.5 | 5 | 5 | 1 | 85 | 276.397 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.30 | 0.61 | -40.29 | 4 | 5 | 0 | 88 | 275.389 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q9LGC6-1-E | Alpha-glucosidase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 80 | 0.52 | Binding ≤ 10μM |
| SUIS-1-E | Sucrase-isomaltase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 660 | 0.46 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q9LGC6_ORYSJ | Q9LGC6 | Alpha-glucosidase, Orysj | 80 | 0.52 | Binding ≤ 1μM |
| SUIS_RAT | P23739 | Sucrase-isomaltase, Rat | 280 | 0.48 | Binding ≤ 1μM |
| Q9LGC6_ORYSJ | Q9LGC6 | Alpha-glucosidase, Orysj | 80 | 0.52 | Binding ≤ 10μM |
| SUIS_RAT | P23739 | Sucrase-isomaltase, Rat | 1500 | 0.43 | Binding ≤ 10μM |
