| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 12 | Yes |
Popular Name: 2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one 2-methyl-1,3,8-triazaspiro[4.5]d…
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CAS Numbers: 1227465-73-7 , 1707358-66-4
2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one dihydrochloride
| 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) | -0.52 | -0.33 | -56.81 | 3 | 4 | 1 | 58 | 168.22 | 0 | ↓ |
| Hi High (pH 8-9.5) | -0.52 | -1.65 | -13.11 | 2 | 4 | 0 | 53 | 167.212 | 0 | ↓ |
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)