| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 28th, 2007 | 15 | Yes |
Popular Name: N-Butyldeoxymannojirimycin,Hydrochloride N-Butyldeoxymannojirimycin,Hydro…
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CAS Number: 355012-88-3
| 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) | -0.72 | -2.17 | -32.66 | 5 | 5 | 1 | 85 | 220.289 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.72 | -1.4 | -38.42 | 4 | 5 | 0 | 88 | 219.281 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q9LGC6-1-E | Alpha-glucosidase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 420 | 0.60 | Binding ≤ 10μM |
| SUIS-1-E | Sucrase-isomaltase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2700 | 0.52 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q9LGC6_ORYSJ | Q9LGC6 | Alpha-glucosidase, Orysj | 420 | 0.60 | Binding ≤ 1μM |
| Q9LGC6_ORYSJ | Q9LGC6 | Alpha-glucosidase, Orysj | 420 | 0.60 | Binding ≤ 10μM |
| SUIS_RAT | P23739 | Sucrase-isomaltase, Rat | 2100 | 0.53 | Binding ≤ 10μM |
