| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 17th, 2011 | 25 | Yes |
Popular Name: 7-[[(3-ethylisoxazol-5-yl)methyl-methyl-amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one 7-[[(3-ethylisoxazol-5-yl)methyl…
| 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) | 1.68 | 6.22 | -49.25 | 2 | 7 | 1 | 82 | 342.375 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.68 | 3.88 | -13.05 | 1 | 7 | 0 | 81 | 341.367 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![5H-[1,3]dioxolo[4,5-g]quinolin-6-one](http://zinc12.docking.org/img/rings/23332.gif)
![7-[(isoxazol-5-ylmethylamino)methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one](http://zinc12.docking.org/img/rings/594645.gif)