| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2009 | 30 | Yes |
Popular Name: (1R,2S)-N,N'-bis(7-chloro-4-quinolyl)cyclohexane-1,2-diamine (1R,2S)-N,N'-bis(7-chloro-4-quin…
| 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) | 7.78 | 11.83 | -82.73 | 4 | 4 | 2 | 52 | 439.39 | 4 | ↓ |
| Hi High (pH 8-9.5) | 7.78 | 11.41 | -44.17 | 3 | 4 | 1 | 51 | 438.382 | 4 | ↓ |
| Hi High (pH 8-9.5) | 7.78 | 11.42 | -43.3 | 3 | 4 | 1 | 51 | 438.382 | 4 | ↓ |
| Hi High (pH 8-9.5) | 7.78 | 11.02 | -12.68 | 2 | 4 | 0 | 50 | 437.374 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 1 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 1 | 0.42 | Functional ≤ 10μM |
