| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2004 | 25 | No |
Popular Name: N-[(5Z)-5-(4-fluorobenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]benzenesulfonamide N-[(5Z)-5-(4-fluorobenzylidene)-…
| 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) | 2.72 | 6.83 | -17.2 | 1 | 5 | 0 | 68 | 394.474 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.72 | 7.73 | -60.75 | 0 | 5 | -1 | 70 | 393.466 | 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 | 1000 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q8JXU8_9HEPC | Q8JXU8 | Hepatitis C Virus NS5B RNA-dependent RNA Polymerase, 9hepc | 1000 | 0.34 | Binding ≤ 1μM |
| Q8JXU8_9HEPC | Q8JXU8 | Hepatitis C Virus NS5B RNA-dependent RNA Polymerase, 9hepc | 1000 | 0.34 | Binding ≤ 10μM |
