| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 17th, 2009 | 19 | Yes |
Popular Name: N-tert-butyl-N'-(7-chloro-4-quinolyl)ethane-1,2-diamine N-tert-butyl-N'-(7-chloro-4-quin…
None
| 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) | 3.66 | 6.53 | -96.5 | 4 | 3 | 2 | 43 | 279.815 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.66 | 6.13 | -52.31 | 3 | 3 | 1 | 42 | 278.807 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 710 | 0.45 | Functional ≤ 10μM |
| Z50426-9-O | Plasmodium Falciparum (isolate K1 / Thailand) (cluster #9 Of 9), Other | Other | 15 | 0.58 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 127.8 | 0.51 | Functional ≤ 10μM |
| Z50426 | Z50426 | Plasmodium Falciparum (isolate K1 / Thailand) | 15.3 | 0.58 | Functional ≤ 10μM |
