| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2009 | 14 | Yes |
Popular Name: N-[[(2S,3R,4R,5S)-3,4,5-trihydroxy-2-piperidyl]methyl]acetamide N-[[(2S,3R,4R,5S)-3,4,5-trihydro…
| 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) | -2.62 | -6.5 | -49.8 | 6 | 6 | 1 | 106 | 205.234 | 2 | ↓ |
| Hi High (pH 8-9.5) | -2.62 | -7.86 | -13.95 | 5 | 6 | 0 | 102 | 204.226 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FUCO-3-E | Alpha-L-fucosidase 1 (cluster #3 Of 3), Eukaryotic | Eukaryotes | 4000 | 0.54 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FUCO_HUMAN | P04066 | Alpha-L-fucosidase I, Human | 4000 | 0.54 | Binding ≤ 10μM |
