| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 16th, 2009 | 29 | Yes |
Popular Name: 7-chloro-N-[2-[2-[(7-chloro-4-quinolyl)amino]ethoxy]ethyl]quinolin-4-amine 7-chloro-N-[2-[2-[(7-chloro-4-qu…
| 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) | 5.04 | 8.95 | -76.8 | 4 | 5 | 2 | 62 | 429.351 | 8 | ↓ |
| Hi High (pH 8-9.5) | 5.04 | 8.55 | -40.95 | 3 | 5 | 1 | 60 | 428.343 | 8 | ↓ |
| Hi High (pH 8-9.5) | 5.04 | 8.15 | -15.71 | 2 | 5 | 0 | 59 | 427.335 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 89 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 16 | 0.38 | Functional ≤ 10μM |
