| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2009 | 11 | Yes |
Popular Name: (1R,2R,3S,4S,6S)-4-amino-6-methyl-cyclohexane-1,2,3-triol (1R,2R,3S,4S,6S)-4-amino-6-methy…
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| 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) | -1.66 | -4.94 | -40.43 | 6 | 4 | 1 | 88 | 162.209 | 0 | ↓ |
| Hi High (pH 8-9.5) | -1.66 | -5.55 | -5.64 | 5 | 4 | 0 | 87 | 161.201 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FUCO-3-E | Alpha-L-fucosidase 1 (cluster #3 Of 3), Eukaryotic | Eukaryotes | 9300 | 0.64 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FUCO_HUMAN | P04066 | Alpha-L-fucosidase I, Human | 1000 | 0.76 | Binding ≤ 1μM |
| FUCO_HUMAN | P04066 | Alpha-L-fucosidase I, Human | 1000 | 0.76 | Binding ≤ 10μM |
