| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 39 | 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) | 3.27 | 8.79 | -15.77 | 0 | 10 | 0 | 101 | 596.434 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.27 | 11.09 | -55.12 | 1 | 10 | 1 | 102 | 597.442 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline](http://zinc12.docking.org/img/rings/154.gif)
![5-[2-[3-(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-ynoxy]benzylidene]barbituric Acid](http://zinc12.docking.org/img/rings/41849.gif)