| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2008 | 30 | 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) | 1.34 | 5.05 | -22.72 | 2 | 9 | 0 | 108 | 448.936 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.79 | 4.79 | -55.18 | 1 | 9 | -1 | 121 | 447.928 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.34 | 7.21 | -65.27 | 3 | 9 | 1 | 109 | 449.944 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2,4,8-triazaspiro[4.5]decane-1,3-quinone](http://zinc12.docking.org/img/rings/1838.gif)
![2-(2-benzyl-1,3-diketo-2,4,8-triazaspiro[4.5]decan-8-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide](http://zinc12.docking.org/img/rings/113397.gif)