| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2011 | 26 | Yes |
Popular Name: 3-(2-ethyl-5-isopropyl-pyrazole-3-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one 3-(2-ethyl-5-isopropyl-pyrazole-…
| 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) | 1.45 | 5.69 | -48.73 | 2 | 7 | 1 | 72 | 362.498 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.45 | 3.91 | -12.84 | 1 | 7 | 0 | 70 | 361.49 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3,7,11-triazaspiro[5.6]dodecan-12-one](http://zinc12.docking.org/img/rings/521201.gif)
![3-(1H-pyrazole-5-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one](http://zinc12.docking.org/img/rings/606623.gif)