| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 24th, 2011 | 18 | Yes |
Popular Name: 1-benzyl-1,9-diazaspiro[5.5]undecane 1-benzyl-1,9-diazaspiro[5.5]unde…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1100748-68-2 , [110074-86-7] , [1100748-68-2]
| 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) | 2.54 | 5.98 | -42.46 | 2 | 2 | 1 | 20 | 245.39 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.54 | 8.05 | -104.65 | 3 | 2 | 2 | 21 | 246.398 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| melting_point | LMS | KeyOrganics |
No pre-computed analogs available. Try a structural similarity search.