| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2011 | 16 | No |
Popular Name: (1S,6R)-9-(1,4-dithiepan-6-yl)-3,9-diazabicyclo[4.2.1]nonane (1S,6R)-9-(1,4-dithiepan-6-yl)-3…
| 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) | 1.19 | 2.65 | -2.21 | 1 | 2 | 0 | 15 | 258.456 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.19 | 3.99 | -40.94 | 2 | 2 | 1 | 20 | 259.464 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.19 | 6.53 | -113.71 | 3 | 2 | 2 | 21 | 260.472 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.19 | 5.19 | -31.86 | 2 | 2 | 1 | 16 | 259.464 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![4,9-diazabicyclo[4.2.1]nonane](http://zinc12.docking.org/img/rings/40550.gif)
![9-(1,4-dithiepan-6-yl)-4,9-diazabicyclo[4.2.1]nonane](http://zinc12.docking.org/img/rings/398576.gif)