| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2009 | 20 | No |
Popular Name: (2S,3R,4R,5S,6S)-2-methyl-6-(4-nitrophenyl)sulfanyl-tetrahydrothiopyran-3,4,5-triol (2S,3R,4R,5S,6S)-2-methyl-6-(4-n…
| 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) | 1.34 | 2.5 | -8.67 | 3 | 6 | 0 | 107 | 317.388 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FUCO-1-E | Alpha-L-fucosidase 1 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 3300 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FUCO_HUMAN | P04066 | Alpha-L-fucosidase I, Human | 3300 | 0.38 | Binding ≤ 10μM |
