| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2007 | 22 | Yes |
Popular Name: 7-chloro-N-[(1R)-1-methyl-4-pyrrolidin-1-yl-butyl]quinolin-4-amine 7-chloro-N-[(1R)-1-methyl-4-pyrr…
| 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) | 4.66 | -0.51 | -83.16 | 3 | 3 | 2 | 30 | 319.88 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50426-9-O | Plasmodium Falciparum (isolate K1 / Thailand) (cluster #9 Of 9), Other | Other | 90 | 0.45 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50426 | Z50426 | Plasmodium Falciparum (isolate K1 / Thailand) | 89.6 | 0.45 | Functional ≤ 10μM |
