| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2011 | 22 | Yes |
Popular Name: 6-chloro-3-[(1E,3E)-4-(4-chlorophenyl)buta-1,3-dienyl]-2H-chromene 6-chloro-3-[(1E,3E)-4-(4-chlorop…
| 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) | 6.49 | 12.32 | -5.23 | 0 | 1 | 0 | 9 | 329.226 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50622-1-O | Human Rhinovirus 1B (cluster #1 Of 2), Other | Other | 540 | 0.40 | Functional ≤ 10μM |
| Z50679-1-O | Human Rhinovirus 14 (cluster #1 Of 2), Other | Other | 6250 | 0.33 | Functional ≤ 10μM |
| Z50746-1-O | Human Enterovirus 71 (cluster #1 Of 2), Other | Other | 6250 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50746 | Z50746 | Human Enterovirus 71 | 6250 | 0.33 | Functional ≤ 10μM |
| Z50679 | Z50679 | Human Rhinovirus 14 | 6250 | 0.33 | Functional ≤ 10μM |
| Z50622 | Z50622 | Human Rhinovirus 1B | 540 | 0.40 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
