| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 29 | No |
Popular Name: (Z)-4-[1-benzyl-4-[(4-chlorophenyl)methyl]-4-piperidyl]-2-hydroxy-4-oxo-but-2-enoic (Z)-4-[1-benzyl-4-[(4-chlorophen…
| 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) | 2.55 | 15.31 | -73.76 | 1 | 5 | 0 | 79 | 413.901 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| POLG-3-V | Genome Polyprotein (cluster #3 Of 3), Viral | Viruses | 430 | 0.31 | Binding ≤ 10μM |
| Z50522-1-O | Unidentified Influenza Virus (cluster #1 Of 1), Other | Other | 1500 | 0.28 | Binding ≤ 10μM |
| Z50522-1-O | Unidentified Influenza Virus (cluster #1 Of 1), Other | Other | 2100 | 0.27 | Binding ≤ 10μM |
| Z50522-2-O | Unidentified Influenza Virus (cluster #2 Of 2), Other | Other | 350 | 0.31 | Functional ≤ 10μM |
| Z50522-2-O | Unidentified Influenza Virus (cluster #2 Of 2), Other | Other | 350 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| POLG_HCV1 | P26664 | Hepatitis C Virus Polyprotein, Hcv1 | 430 | 0.31 | Binding ≤ 1μM |
| Z50522 | Z50522 | Unidentified Influenza Virus | 31 | 0.36 | Binding ≤ 1μM |
| POLG_HCV1 | P26664 | Hepatitis C Virus Polyprotein, Hcv1 | 430 | 0.31 | Binding ≤ 10μM |
| Z50522 | Z50522 | Unidentified Influenza Virus | 1500 | 0.28 | Binding ≤ 10μM |
| Z50522 | Z50522 | Unidentified Influenza Virus | 350 | 0.31 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.