| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2008 | 14 | Yes |
Popular Name: 3-Ethyl-1,5-dimethyl-3,7-diaza-bicyclo[3.3.1]-nonan-9-ol 3-Ethyl-1,5-dimethyl-3,7-diaza-b…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 104215-93-2 , 1171451-15-2
| 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) | 0.46 | 2.7 | -28.84 | 3 | 3 | 1 | 40 | 199.318 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.46 | 3.08 | -42.97 | 2 | 3 | 0 | 40 | 198.31 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.46 | 3.5 | -85.17 | 3 | 3 | 1 | 44 | 199.318 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.46 | 2.6 | -27.13 | 3 | 3 | 1 | 37 | 199.318 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.46 | 3.04 | -15.04 | 4 | 3 | 0 | 41 | 200.326 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
![3,7-diazabicyclo[3.3.1]nonane](http://zinc12.docking.org/img/rings/26299.gif)
