| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2011 | 25 | No |
Popular Name: 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone 1-[4-[(3-chlorophenyl)methyl]pip…
| 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) | 1.52 | 8.2 | -34.83 | 0 | 5 | 0 | 49 | 377.897 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.52 | 10.42 | -81.14 | 1 | 5 | 1 | 50 | 378.905 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1-(4-benzylpiperazino)-2-[(1-keto-2-pyridyl)thio]ethanone](http://zinc12.docking.org/img/rings/173549.gif)