| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 15 | No |
Popular Name: 5-methyl-4-[2-(1-piperidyl)ethyl]-1,2,4-triazole-3-thiol 5-methyl-4-[2-(1-piperidyl)ethyl…
| 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) | 1.20 | 8.14 | -53.58 | 1 | 4 | 0 | 35 | 226.349 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.20 | 5.92 | -45.76 | 0 | 4 | -1 | 34 | 225.341 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.47 | 8.02 | -47.59 | 2 | 4 | 1 | 38 | 227.357 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine](http://zinc12.docking.org/img/rings/591348.gif)