| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2005 | 26 | Yes |
Popular Name: N-[(4-chlorophenyl)methyl]-4-hydroxy-6-(3-hydroxypropyl)quinoline-3-carboxamide N-[(4-chlorophenyl)methyl]-4-hyd…
| 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) | 1.95 | -4.68 | -14.42 | 3 | 5 | 0 | 82 | 370.836 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPOL-4-V | Human Herpesvirus 6 DNA Polymerase (cluster #4 Of 4), Viral | Viruses | 70 | 0.39 | Binding ≤ 10μM |
| Z80583-1-O | Vero (Kidney Cells) (cluster #1 Of 7), Other | Other | 7400 | 0.28 | Functional ≤ 10μM |
| Z80954-1-O | HFF (Foreskin Fibroblasts) (cluster #1 Of 4), Other | Other | 170 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPOL_VZVD | P09252 | DNA Polymerase, Vzvd | 70 | 0.39 | Binding ≤ 1μM |
| DPOL_HHV11 | P04293 | Human Herpesvirus 1 DNA Polymerase, Hhv11 | 300 | 0.35 | Binding ≤ 1μM |
| DPOL_HCMVA | P08546 | Human Herpesvirus 5 DNA Polymerase, Hcmva | 400 | 0.34 | Binding ≤ 1μM |
| DPOL_VZVD | P09252 | DNA Polymerase, Vzvd | 70 | 0.39 | Binding ≤ 10μM |
| DPOL_HHV11 | P04293 | Human Herpesvirus 1 DNA Polymerase, Hhv11 | 300 | 0.35 | Binding ≤ 10μM |
| DPOL_HCMVA | P08546 | Human Herpesvirus 5 DNA Polymerase, Hcmva | 400 | 0.34 | Binding ≤ 10μM |
| Z80954 | Z80954 | HFF (Foreskin Fibroblasts) | 1000 | 0.32 | Functional ≤ 10μM |
| Z80583 | Z80583 | Vero (Kidney Cells) | 7400 | 0.28 | Functional ≤ 10μM |
