| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 29th, 2011 | 21 | Yes |
Popular Name: 4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]-1,5-dimethyl-pyrrole-2-carbonitrile 4-[(1,4-dioxaspiro[4.5]decan-8-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) | 1.43 | 6.81 | -49.76 | 2 | 5 | 1 | 64 | 290.387 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.43 | 5.6 | -8.47 | 1 | 5 | 0 | 59 | 289.379 | 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)
![1,4-dioxaspiro[4.5]decan-8-yl(1H-pyrrol-3-ylmethyl)amine](http://zinc12.docking.org/img/rings/179803.gif)