| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 26th, 2009 | 29 | Yes |
Popular Name: 3-(1,1-dioxo-4H-benzo[e][1,2,4]thiadiazin-3-yl)-4-hydroxy-1-isopentyl-1,8-naphthyridin-2-one 3-(1,1-dioxo-4H-benzo[e][1,2,4]t…
| 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) | 2.17 | 6.55 | -128.26 | 0 | 8 | -2 | 119 | 410.455 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q8JXU8-2-V | Hepatitis C Virus NS5B RNA-dependent RNA Polymerase (cluster #2 Of 2), Viral | Viruses | 810 | 0.29 | Binding ≤ 10μM |
| Z50643-2-O | Hepatitis C Virus (cluster #2 Of 5), Other | Other | 1359 | 0.28 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q8JXU8_9HEPC | Q8JXU8 | Hepatitis C Virus NS5B RNA-dependent RNA Polymerase, 9hepc | 41 | 0.36 | Binding ≤ 1μM |
| Q8JXU8_9HEPC | Q8JXU8 | Hepatitis C Virus NS5B RNA-dependent RNA Polymerase, 9hepc | 41 | 0.36 | Binding ≤ 10μM |
| Z50643 | Z50643 | Hepatitis C Virus | 1359 | 0.28 | Functional ≤ 10μM |
