| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2009 | 50 | No |
Popular Name: 1-[4,7-bis(7-chloro-4-quinolyl)-1,4,7-triazonan-1-yl]-12-(1-piperidyl)dodecan-1-one 1-[4,7-bis(7-chloro-4-quinolyl)-…
| 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) | 9.19 | 21.35 | -144.83 | 3 | 7 | 3 | 59 | 720.854 | 14 | ↓ |
| Hi High (pH 8-9.5) | 9.19 | 20.5 | -44.1 | 1 | 7 | 1 | 57 | 718.838 | 14 | ↓ |
| Hi High (pH 8-9.5) | 9.19 | 20.87 | -80.52 | 2 | 7 | 2 | 58 | 719.846 | 14 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 109 | 0.19 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 108.8 | 0.19 | Functional ≤ 10μM |
