| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 24th, 2010 | 23 | No |
Popular Name: N-Dodecyldeoxynojirimycin N-Dodecyldeoxynojirimycin
Find On: PubMed — Wikipedia — Google
CAS Number: [79206-22-7]
| 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) | 3.32 | 1.6 | -34.72 | 5 | 5 | 1 | 85 | 332.505 | 12 | ↓ |
| Hi High (pH 8-9.5) | 3.32 | 2.06 | -42.35 | 4 | 5 | 0 | 88 | 331.497 | 12 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GBA2-1-E | Beta-glucosidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2 | 0.53 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GBA2_HUMAN | Q9HCG7 | Beta-glucosidase, Human | 2 | 0.53 | Binding ≤ 1μM |
| GBA2_HUMAN | Q9HCG7 | Beta-glucosidase, Human | 2 | 0.53 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Glycosphingolipid metabolism |
No pre-computed analogs available. Try a structural similarity search.