| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2010 | 23 | Yes |
Popular Name: 7-chloro-N-[[2-(dimethylaminomethyl)phenyl]methyl]quinolin-4-amine 7-chloro-N-[[2-(dimethylaminomet…
| 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) | 3.84 | 11.1 | -92.02 | 3 | 3 | 2 | 31 | 327.859 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.84 | 10.67 | -41.51 | 2 | 3 | 1 | 29 | 326.851 | 5 | ↓ |
| 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 | 7 | 0.50 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50426 | Z50426 | Plasmodium Falciparum (isolate K1 / Thailand) | 6.9 | 0.50 | Functional ≤ 10μM |
