| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 27th, 2007 | 25 | No |
Popular Name: 1-ethyl-2-( quinoliniumchloride 1-ethyl-2-( quinoliniumchloride
(2E)-1-ethyl-2-[(1-ethyl-2-quinolin-1-iumyl)methylidene]quinoline iodide
(2E)-1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylene]quinoline iodide
1-ethyl-2-[(1-ethylquinolin-2-ylidene)methyl]quinolin-1-ium chloride
Quinolinium,1-ethyl-2-[(1-ethyl-2(1H)-quinolinylidene)methyl]-, iodide (1:1)
| 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) | 1.82 | 2.86 | -20.32 | 0 | 2 | 1 | 8 | 327.451 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NQO2-1-E | Quinone Reductase 2 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 2700 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NQO2_HUMAN | P16083 | Quinone Reductase 2, Human | 2700 | 0.31 | Binding ≤ 10μM |
