| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 21 | Yes |
Popular Name: (7S,8S)-7-(4-isobutylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine (7S,8S)-7-(4-isobutylpiperazin-1…
| 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) | 0.76 | 3.82 | -99.32 | 4 | 5 | 2 | 54 | 299.459 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.76 | 3.44 | -34.59 | 3 | 5 | 1 | 52 | 298.451 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.76 | 1.82 | -42.28 | 3 | 5 | 1 | 53 | 298.451 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1,4-dioxaspiro[4.5]decane](http://zinc12.docking.org/img/rings/7688.gif)
![1-(1,4-dioxaspiro[4.5]decan-7-yl)piperazine](http://zinc12.docking.org/img/rings/391821.gif)