| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2004 | 14 | Yes |
| 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) | 3.34 | -0.71 | -34.32 | 2 | 1 | 1 | 16 | 192.326 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z101821-2-O | H2N2 Subtype (cluster #2 Of 3), Other | Other | 1800 | 0.57 | Functional ≤ 10μM |
| Z50652-2-O | Influenza A Virus (cluster #2 Of 4), Other | Other | 1800 | 0.57 | Functional ≤ 10μM |
| Z80249-2-O | MDCK (Kidney Cells) (cluster #2 Of 2), Other | Other | 1800 | 0.57 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z101821 | Z101821 | H2N2 Subtype | 1800 | 0.57 | Functional ≤ 10μM |
| Z50652 | Z50652 | Influenza A Virus | 1800 | 0.57 | Functional ≤ 10μM |
| Z80249 | Z80249 | MDCK (Kidney Cells) | 1800 | 0.57 | Functional ≤ 10μM |
