| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2005 | 24 | No |
Popular Name: Laninamivir Laninamivir
Find On: PubMed — Wikipedia — Google
CAS Numbers: 203120-17-6 , [203120-17-6]
| 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) | -3.11 | -10.28 | -72.57 | 8 | 11 | 0 | 191 | 346.34 | 8 | ↓ |
| Hi High (pH 8-9.5) | -4.43 | -10.24 | -53.08 | 7 | 12 | -1 | 209 | 365.315 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100811-1-O | Influenza A Virus (H5N1) (cluster #1 Of 1), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Z101821-1-O | H2N2 Subtype (cluster #1 Of 3), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Z101822-1-O | H3N2 Subtype (cluster #1 Of 2), Other | Other | 2 | 0.51 | Functional ≤ 10μM |
| Z50142-2-O | Influenza A Virus (A/PR/8/34(H1N1)) (cluster #2 Of 2), Other | Other | 6 | 0.48 | Functional ≤ 10μM |
| Z50523-1-O | Influenza B Virus (cluster #1 Of 1), Other | Other | 4 | 0.49 | Functional ≤ 10μM |
| Z50652-1-O | Influenza A Virus (cluster #1 Of 4), Other | Other | 3 | 0.50 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z101821 | Z101821 | H2N2 Subtype | 0.43 | 0.55 | Functional ≤ 10μM |
| Z101822 | Z101822 | H3N2 Subtype | 1.3 | 0.52 | Functional ≤ 10μM |
| Z50652 | Z50652 | Influenza A Virus | 0.14 | 0.57 | Functional ≤ 10μM |
| Z50142 | Z50142 | Influenza A Virus (A/PR/8/34(H1N1)) | 2.2 | 0.51 | Functional ≤ 10μM |
| Z100811 | Z100811 | Influenza A Virus (H5N1) | 0.34 | 0.55 | Functional ≤ 10μM |
| Z50523 | Z50523 | Influenza B Virus | 4.2 | 0.49 | Functional ≤ 10μM |
