| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 5th, 2009 | 30 | Yes |
Popular Name: 2-[[4-[(7-chloro-4-quinolyl)amino]butyl-propyl-amino]methyl]-4-methoxy-phenol 2-[[4-[(7-chloro-4-quinolyl)amin…
| 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) | 5.51 | 9.65 | -84.75 | 4 | 5 | 2 | 60 | 429.992 | 11 | ↓ |
| Hi High (pH 8-9.5) | 5.51 | 9.23 | -46.43 | 3 | 5 | 1 | 59 | 428.984 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 7 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 27.5 | 0.35 | Functional ≤ 10μM |
