| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 17 | Yes |
Popular Name: (2S,3R,5S,6R)-1-butyl-2,6-dimethylol-piperidin-1-ium-3,4,5-triol (2S,3R,5S,6R)-1-butyl-2,6-dimeth…
| 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) | -1.36 | -4.2 | -31.41 | 6 | 6 | 1 | 106 | 250.315 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.36 | -3.43 | -39.23 | 5 | 6 | 0 | 108 | 249.307 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LYAG-1-E | Alpha-glucosidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4800 | 0.44 | Binding ≤ 10μM |
| MGA-1-E | Maltase-glucoamylase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4200 | 0.44 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LYAG_RAT | Q6P7A9 | Acidic Alpha-glucosidase, Rat | 2200 | 0.47 | Binding ≤ 10μM |
| MGA_HUMAN | O43451 | Maltase-glucoamylase, Human | 4200 | 0.44 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Digestion of dietary carbohydrate |
