| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 26 | Yes |
Popular Name: 2-isopentyl-8-[4-(1H-pyrazol-4-yl)butanoyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one 2-isopentyl-8-[4-(1H-pyrazol-4-y…
| 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) | 1.84 | 5.83 | -24.2 | 2 | 7 | 0 | 90 | 359.474 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.84 | 6.54 | -51.12 | 3 | 7 | 1 | 92 | 360.482 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1,3,8-triazaspiro[4.5]dec-2-en-4-one](http://zinc12.docking.org/img/rings/373583.gif)
![8-[4-(1H-pyrazol-4-yl)butanoyl]-2,4,8-triazaspiro[4.5]dec-2-en-1-one](http://zinc12.docking.org/img/rings/387555.gif)