| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 5th, 2008 | 20 | No |
Popular Name: N-Nonyldeoxynojirimycin N-Nonyldeoxynojirimycin
Find On: PubMed — Wikipedia — Google
CAS Number: [81117-35-3]
| 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 | -0.83 | -36.18 | 5 | 5 | 1 | 85 | 290.424 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 9.58e+00 g/l | DrugBank-experimental |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| B5THE3-1-E | Sucrase-isomaltase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 400 | 0.45 | Binding ≤ 10μM |
| CEGT-1-E | Ceramide Glucosyltransferase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4000 | 0.38 | Binding ≤ 10μM |
| GBA2-1-E | Beta-glucosidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 7 | 0.57 | Binding ≤ 10μM |
| GLCM-2-E | Glucosylceramidase (cluster #2 Of 2), Eukaryotic | Eukaryotes | 660 | 0.43 | Binding ≤ 10μM |
| LYAG-1-E | Alpha-glucosidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 8000 | 0.36 | Binding ≤ 10μM |
| Z50641-1-O | West Nile Virus (cluster #1 Of 2), Other | Other | 4000 | 0.38 | Functional ≤ 10μM |
| Z50676-2-O | Dengue Virus (cluster #2 Of 2), Other | Other | 1100 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GLCM_HUMAN | P04062 | Beta-glucocerebrosidase, Human | 103 | 0.49 | Binding ≤ 1μM |
| GBA2_HUMAN | Q9HCG7 | Beta-glucosidase, Human | 7 | 0.57 | Binding ≤ 1μM |
| B5THE3_MOUSE | B5THE3 | Sucrase-isomaltase, Mouse | 400 | 0.45 | Binding ≤ 1μM |
| GLCM_HUMAN | P04062 | Beta-glucocerebrosidase, Human | 103 | 0.49 | Binding ≤ 10μM |
| GBA2_HUMAN | Q9HCG7 | Beta-glucosidase, Human | 7 | 0.57 | Binding ≤ 10μM |
| CEGT_MOUSE | O88693 | Ceramide Glucosyltransferase, Mouse | 4000 | 0.38 | Binding ≤ 10μM |
| LYAG_MOUSE | P70699 | Lysosomal Alpha-glucosidase, Mouse | 8000 | 0.36 | Binding ≤ 10μM |
| B5THE3_MOUSE | B5THE3 | Sucrase-isomaltase, Mouse | 400 | 0.45 | Binding ≤ 10μM |
| Z50676 | Z50676 | Dengue Virus | 1100 | 0.42 | Functional ≤ 10μM |
| Z50641 | Z50641 | West Nile Virus | 4000 | 0.38 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Glycosphingolipid metabolism |
