| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 16 | Yes |
Popular Name: 1-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]piperidin-4-one 1-[2-(1H-1,2,4-triazol-5-ylsulfa…
| 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) | -0.77 | 4.3 | -12.13 | 1 | 6 | 0 | 79 | 240.288 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.77 | 4.1 | -40.93 | 0 | 6 | -1 | 77 | 239.28 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1-[2-(1H-1,2,4-triazol-5-ylthio)acetyl]-4-piperidone](http://zinc12.docking.org/img/rings/557330.gif)