| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 13th, 2009 | 19 | Yes |
Popular Name: N,N-diethyl-N'-(7-methyl-4-quinolyl)ethane-1,2-diamine N,N-diethyl-N'-(7-methyl-4-quino…
| 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) | 3.24 | 8.18 | -87.6 | 3 | 3 | 2 | 31 | 259.397 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.24 | 5.88 | -28.14 | 2 | 3 | 1 | 29 | 258.389 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 82 | 0.52 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 82 | 0.52 | Functional ≤ 10μM |
