| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2010 | 20 | No |
Popular Name: 3-[[4-(3-chloro-2-pyridyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-thione 3-[[4-(3-chloro-2-pyridyl)pipera…
| 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) | 1.72 | 6.26 | -12.83 | 0 | 5 | 0 | 37 | 327.866 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.72 | 8.6 | -39.05 | 1 | 5 | 1 | 38 | 328.874 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[[4-(2-pyridyl)piperazino]methyl]-1,3,4-thiadiazole-2-thione](http://zinc12.docking.org/img/rings/123474.gif)