| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 17th, 2011 | 25 | Yes |
Popular Name: 7-[[3,3-bis(hydroxymethyl)-1-piperidyl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one 7-[[3,3-bis(hydroxymethyl)-1-pip…
| 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) | -0.03 | 1.94 | -46.76 | 4 | 7 | 1 | 96 | 347.391 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.03 | 0.07 | -13.21 | 3 | 7 | 0 | 95 | 346.383 | 4 | ↓ |
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-(piperidinomethyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one](http://zinc12.docking.org/img/rings/594851.gif)