| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 8th, 2009 | 28 | Yes |
Popular Name: N-[(4-chlorophenyl)methyl]-2-(morpholinomethyl)-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide N-[(4-chlorophenyl)methyl]-2-(mo…
| 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) | 2.40 | 6.77 | -33.26 | 2 | 6 | 0 | 74 | 417.918 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.40 | 9.13 | -67.22 | 3 | 6 | 1 | 76 | 418.926 | 5 | ↓ |
| 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 | 1100 | 0.30 | Binding ≤ 10μM |
| Z50527-1-O | Human Herpesvirus 3 (cluster #1 Of 3), Other | Other | 770 | 0.31 | Functional ≤ 10μM |
| Z50530-1-O | Human Herpesvirus 5 (cluster #1 Of 5), Other | Other | 800 | 0.30 | Functional ≤ 10μM |
| Z50602-2-O | Human Herpesvirus 1 (cluster #2 Of 5), Other | Other | 5530 | 0.26 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPOL_HCMVA | P08546 | Human Herpesvirus 5 DNA Polymerase, Hcmva | 1100 | 0.30 | Binding ≤ 10μM |
| Z50602 | Z50602 | Human Herpesvirus 1 | 5530 | 0.26 | Functional ≤ 10μM |
| Z50527 | Z50527 | Human Herpesvirus 3 | 770 | 0.31 | Functional ≤ 10μM |
| Z50530 | Z50530 | Human Herpesvirus 5 | 800 | 0.30 | Functional ≤ 10μM |
