| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 23 | Yes |
Popular Name: (6R)-6-cyclopentyl-6-[2-(3-ethylphenyl)ethyl]tetrahydropyran-2,4-dione (6R)-6-cyclopentyl-6-[2-(3-ethyl…
| 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) | 4.49 | 11.92 | -9.11 | 0 | 3 | 0 | 43 | 314.425 | 5 | ↓ |
| 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 | 3600 | 0.33 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q8JXU8_9HEPC | Q8JXU8 | Hepatitis C Virus NS5B RNA-dependent RNA Polymerase, 9hepc | 3600 | 0.33 | Binding ≤ 10μM |
