| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2009 | 10 | Yes |
Popular Name: 3,4-Piperidinediol, 2-amino-5-methyl-, (2R,3S,4R,5R)- (9CI) 3,4-Piperidinediol, 2-amino-5-me…
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CAS Number: 287412-07-1
| 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) | -1.20 | -6.69 | -41.01 | 6 | 4 | 1 | 80 | 147.198 | 0 | ↓ |
| Lo Low (pH 4.5-6) | -1.20 | -5.71 | -36.47 | 6 | 4 | 1 | 83 | 147.198 | 0 | ↓ |
| Lo Low (pH 4.5-6) | -1.20 | -5.36 | -126.15 | 7 | 4 | 2 | 85 | 148.206 | 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 | 16 | 1.09 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FUCO_HUMAN | P04066 | Alpha-L-fucosidase I, Human | 16 | 1.09 | Binding ≤ 1μM |
| FUCO_HUMAN | P04066 | Alpha-L-fucosidase I, Human | 16 | 1.09 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.