| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2009 | 15 | Yes |
Popular Name: 4H-Pyran-2-carboxylic acid, 6-(ethoxymethyl)-3-hydroxy-4-oxo- (9CI) 4H-Pyran-2-carboxylic acid, 6-(e…
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CAS Number: 722500-53-0
| 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) | -0.08 | 1.85 | -44.58 | 1 | 6 | -1 | 100 | 213.165 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.08 | 2.85 | -132.92 | 0 | 6 | -2 | 103 | 212.157 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q8JXU8-1-V | Hepatitis C Virus NS5B RNA-dependent RNA Polymerase (cluster #1 Of 2), Viral | Viruses | 800 | 0.57 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q8JXU8_9HEPC | Q8JXU8 | Hepatitis C Virus NS5B RNA-dependent RNA Polymerase, 9hepc | 800 | 0.57 | Binding ≤ 1μM |
| Q8JXU8_9HEPC | Q8JXU8 | Hepatitis C Virus NS5B RNA-dependent RNA Polymerase, 9hepc | 800 | 0.57 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.