| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 12th, 2004 | 35 | 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) | 2.29 | 7.74 | -15.24 | 2 | 9 | 0 | 98 | 514.991 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.29 | 10.07 | -59.85 | 3 | 9 | 1 | 99 | 515.999 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.29 | 10.07 | -60.51 | 3 | 9 | 1 | 99 | 515.999 | 5 | ↓ |
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)
![1-phenyl-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/232067.gif)