| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2011 | 25 | No |
Popular Name: 4-ethyl-3-[1-[5-(methylsulfonylmethyl)-2-pyridyl]-4-piperidyl]-1H-1,2,4-triazol-5-one 4-ethyl-3-[1-[5-(methylsulfonylm…
| 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) | 0.16 | 4.89 | -25.76 | 1 | 8 | 0 | 101 | 365.459 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.16 | 5.22 | -53.51 | 2 | 8 | 1 | 102 | 366.467 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[1-(2-pyridyl)-4-piperidyl]-1,4-dihydro-1,2,4-triazol-5-one](http://zinc12.docking.org/img/rings/607176.gif)