| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2005 | 43 | No |
| 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) | 2.69 | 0.54 | -19.2 | 3 | 11 | 0 | 156 | 598.672 | 16 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q4U254-1-V | Human Rhinovirus A Protease (cluster #1 Of 3), Viral | Viruses | 23 | 0.25 | Binding ≤ 10μM |
| Q4U254-1-V | Human Rhinovirus A Protease (cluster #1 Of 1), Viral | Viruses | 5 | 0.27 | Functional ≤ 10μM |
| Z101846-2-O | Human Echovirus 6 (cluster #2 Of 2), Other | Other | 43 | 0.24 | Functional ≤ 10μM |
| Z102516-1-O | Human Rhinovirus Strain Hanks (cluster #1 Of 1), Other | Other | 51 | 0.24 | Functional ≤ 10μM |
| Z50132-1-O | Human Rhinovirus 39 (cluster #1 Of 1), Other | Other | 94 | 0.23 | Functional ≤ 10μM |
| Z50615-2-O | Human Echovirus 9 (cluster #2 Of 2), Other | Other | 15 | 0.25 | Functional ≤ 10μM |
| Z50665-1-O | Enterovirus (cluster #1 Of 1), Other | Other | 982 | 0.20 | Functional ≤ 10μM |
| Z50674-1-O | Human Rhinovirus 2 (cluster #1 Of 1), Other | Other | 67 | 0.23 | Functional ≤ 10μM |
| Z50679-2-O | Human Rhinovirus 14 (cluster #2 Of 2), Other | Other | 96 | 0.23 | Functional ≤ 10μM |
| Z81247-1-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other | Other | 5 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q4U254_9ENTO | Q4U254 | Human Rhinovirus A Protease, 9ento | 23 | 0.25 | Binding ≤ 1μM |
| Q4U254_9ENTO | Q4U254 | Human Rhinovirus A Protease, 9ento | 23 | 0.25 | Binding ≤ 10μM |
| Z50665 | Z50665 | Enterovirus | 1247 | 0.19 | Functional ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 5 | 0.27 | Functional ≤ 10μM |
| Z101846 | Z101846 | Human Echovirus 6 | 43 | 0.24 | Functional ≤ 10μM |
| Z50615 | Z50615 | Human Echovirus 9 | 15 | 0.25 | Functional ≤ 10μM |
| Z50679 | Z50679 | Human Rhinovirus 14 | 14 | 0.26 | Functional ≤ 10μM |
| Z50674 | Z50674 | Human Rhinovirus 2 | 140 | 0.22 | Functional ≤ 10μM |
| Z50132 | Z50132 | Human Rhinovirus 39 | 24 | 0.25 | Functional ≤ 10μM |
| Q4U254_9ENTO | Q4U254 | Human Rhinovirus A Protease, 9ento | 5 | 0.27 | Functional ≤ 10μM |
| Z102516 | Z102516 | Human Rhinovirus Strain Hanks | 19 | 0.25 | Functional ≤ 10μM |
