| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 3rd, 2008 | 15 | Yes |
Popular Name: 3,4,5-Piperidinetriol, 1-butyl-2-(hydroxymethyl)-, (2S,3S,4R,5S)- (9CI) 3,4,5-Piperidinetriol, 1-butyl-2…
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CAS Number: 441061-44-5
| 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 | -4.84 | -32.86 | 5 | 5 | 1 | 85 | 220.289 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GBA2-1-E | Beta-glucosidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 9000 | 0.47 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GBA2_HUMAN | Q9HCG7 | Beta-glucosidase, Human | 9000 | 0.47 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Glycosphingolipid metabolism |
