| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 17 | Yes |
| 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) | 0.29 | -8.13 | -36.05 | 5 | 5 | 1 | 85 | 248.343 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| B5THE3-1-E | Sucrase-isomaltase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1000 | 0.49 | Binding ≤ 10μM |
| GBA2-1-E | Beta-glucosidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 110 | 0.57 | Binding ≤ 10μM |
| LYAG-1-E | Alpha-glucosidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GBA2_HUMAN | Q9HCG7 | Beta-glucosidase, Human | 110 | 0.57 | Binding ≤ 1μM |
| B5THE3_MOUSE | B5THE3 | Sucrase-isomaltase, Mouse | 1000 | 0.49 | Binding ≤ 1μM |
| GBA2_HUMAN | Q9HCG7 | Beta-glucosidase, Human | 110 | 0.57 | Binding ≤ 10μM |
| LYAG_MOUSE | P70699 | Lysosomal Alpha-glucosidase, Mouse | 10000 | 0.41 | Binding ≤ 10μM |
| B5THE3_MOUSE | B5THE3 | Sucrase-isomaltase, Mouse | 1000 | 0.49 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Glycosphingolipid metabolism |
