| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 12th, 2004 | 31 | 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) | 0.98 | 5.37 | -14.26 | 2 | 9 | 0 | 98 | 444.513 | 6 | ↓ |
| Ref Reference (pH 7) | 0.98 | 5.37 | -14.07 | 2 | 9 | 0 | 98 | 444.513 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.98 | 7.67 | -58.87 | 3 | 9 | 1 | 99 | 445.521 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.98 | 7.67 | -59.46 | 3 | 9 | 1 | 99 | 445.521 | 6 | ↓ |
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-[(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-ylmethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone](http://zinc12.docking.org/img/rings/232123.gif)