| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 24th, 2008 | 33 | No |
| 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) | 3.28 | 8.86 | -48.78 | 3 | 7 | 1 | 82 | 446.575 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.28 | 6.25 | -21.21 | 2 | 7 | 0 | 81 | 445.567 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.28 | 9.82 | -77.6 | 4 | 7 | 2 | 84 | 447.583 | 5 | ↓ |
![N'-(1H-quinolin-4-ylidene)-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]oxamide](http://zinc12.docking.org/img/rings/109032.gif)
