| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 26 | Yes |
Popular Name: N1,N2-bis(7-chloro-4-quinolinyl)-1,2-ethanediamine; nsc5844 N1,N2-bis(7-chloro-4-quinolinyl)…
None
| 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) | 5.06 | 8.89 | -83.49 | 4 | 4 | 2 | 52 | 385.298 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.06 | 8.05 | -13.96 | 2 | 4 | 0 | 50 | 383.282 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 27 | 0.41 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 17 | 0.42 | Functional ≤ 10μM |
