| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2011 | 9 | Yes |
Popular Name: 4,7-Diazaspiro[2.5]octan-5-one hydrochloride 4,7-Diazaspiro[2.5]octan-5-one h…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1199794-52-9 , n/a , [1199794-52-9]
4,7-DIAZASPIRO[2.5]OCTAN-5-ONE HCL
4,7-diazaspiro[2.5]octan-5-one, monohydrochloride
| 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) | -0.35 | -0.19 | -48.53 | 3 | 3 | 1 | 46 | 127.167 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.35 | -1.57 | -6.41 | 2 | 3 | 0 | 41 | 126.159 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
![5,8-diazaspiro[2.5]octan-7-one](http://zinc12.docking.org/img/rings/286869.gif)