| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 11th, 2011 | 23 | Yes |
Popular Name: 9-(1-isoquinolyl)-5-methyl-2,5,9-triazaspiro[5.5]undecan-1-one 9-(1-isoquinolyl)-5-methyl-2,5,9…
| 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) | 1.73 | 7.48 | -89.24 | 3 | 5 | 2 | 51 | 312.417 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.73 | 4.84 | -8.64 | 1 | 5 | 0 | 48 | 310.401 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.73 | 7.01 | -42.49 | 2 | 5 | 1 | 50 | 311.409 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.73 | 5.31 | -28.91 | 2 | 5 | 1 | 50 | 311.409 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1,4,9-triazaspiro[5.5]undecan-5-one](http://zinc12.docking.org/img/rings/373598.gif)
![9-(1-isoquinolyl)-1,4,9-triazaspiro[5.5]undecan-5-one](http://zinc12.docking.org/img/rings/564613.gif)