| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 23 | Yes |
Popular Name: (2R,3R,4R,5S)-1-[5-(1-hydroxycyclohexyl)pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol (2R,3R,4R,5S)-1-[5-(1-hydroxycyc…
None
| 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) | 0.74 | -2.94 | -38.15 | 6 | 6 | 1 | 106 | 332.461 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.74 | -2.48 | -45.1 | 5 | 6 | 0 | 108 | 331.453 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50641-1-O | West Nile Virus (cluster #1 Of 2), Other | Other | 4500 | 0.33 | Functional ≤ 10μM |
| Z50676-2-O | Dengue Virus (cluster #2 Of 2), Other | Other | 4000 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50676 | Z50676 | Dengue Virus | 4000 | 0.33 | Functional ≤ 10μM |
| Z50641 | Z50641 | West Nile Virus | 4500 | 0.33 | Functional ≤ 10μM |
