| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 8th, 2010 | 15 | No |
Popular Name: 4-Hydroxy-4-(3-hydroxyphenyl)-2-oxobut-3-enoic acid 4-Hydroxy-4-(3-hydroxyphenyl)-2-…
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CAS Number: 904814-38-6
| 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) | -0.36 | 4.67 | -50.39 | 1 | 5 | -1 | 94 | 207.161 | 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 | 1000 | 0.56 | 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 | 0.56 | Binding ≤ 1μM |
| Q8JXU8_9HEPC | Q8JXU8 | Hepatitis C Virus NS5B RNA-dependent RNA Polymerase, 9hepc | 1000 | 0.56 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.