| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2009 | 25 | Yes |
Popular Name: 3-cyclohexyl-1-methyl-2-(2-pyridyl)indole-6-carboxylic 3-cyclohexyl-1-methyl-2-(2-pyrid…
| 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) | 4.46 | 11.36 | -55.8 | 0 | 4 | -1 | 58 | 333.411 | 3 | ↓ |
| 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 | 90 | 0.39 | Binding ≤ 10μM |
| Z50643-2-O | Hepatitis C Virus (cluster #2 Of 5), Other | Other | 3900 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q8JXU8_9HEPC | Q8JXU8 | Hepatitis C Virus NS5B RNA-dependent RNA Polymerase, 9hepc | 90 | 0.39 | Binding ≤ 1μM |
| Q8JXU8_9HEPC | Q8JXU8 | Hepatitis C Virus NS5B RNA-dependent RNA Polymerase, 9hepc | 90 | 0.39 | Binding ≤ 10μM |
| Z50643 | Z50643 | Hepatitis C Virus | 3900 | 0.30 | Functional ≤ 10μM |
