| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2004 | 20 | No |
Popular Name: (2S,3R,4S,5R)-2-methylol-1-nonyl-piperidin-1-ium-3,4,5-triol (2S,3R,4S,5R)-2-methylol-1-nonyl…
| 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) | 1.81 | 0.89 | -33.48 | 5 | 5 | 1 | 85 | 290.424 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.81 | 1.39 | -40.24 | 4 | 5 | 0 | 88 | 289.416 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q9LGC6-1-E | Alpha-glucosidase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 80 | 0.50 | Binding ≤ 10μM |
| SUIS-1-E | Sucrase-isomaltase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 660 | 0.43 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q9LGC6_ORYSJ | Q9LGC6 | Alpha-glucosidase, Orysj | 80 | 0.50 | Binding ≤ 1μM |
| SUIS_RAT | P23739 | Sucrase-isomaltase, Rat | 230 | 0.46 | Binding ≤ 1μM |
| Q9LGC6_ORYSJ | Q9LGC6 | Alpha-glucosidase, Orysj | 80 | 0.50 | Binding ≤ 10μM |
| SUIS_RAT | P23739 | Sucrase-isomaltase, Rat | 1300 | 0.41 | Binding ≤ 10μM |
