In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2004 | 21 | Yes |
Popular Name: 4-[(7-chloroquinolin-1-ium-4-yl)amino]butyl-diethyl-ammonium 4-[(7-chloroquinolin-1-ium-4-yl)…
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) | 4.01 | -0.21 | -80.42 | 3 | 3 | 2 | 30 | 307.869 | 8 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 51 | 0.49 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50425 | Z50425 | Plasmodium Falciparum | 12 | 0.53 | Functional ≤ 10μM |