| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 14th, 2011 | 24 | Yes |
Popular Name: 4-ethyl-5-[1-[(2-ethylpyrimidin-4-yl)methyl]-4-piperidyl]-2-methyl-1,2,4-triazol-3-one 4-ethyl-5-[1-[(2-ethylpyrimidin-…
| 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) | 0.43 | 9.22 | -58.35 | 1 | 7 | 1 | 70 | 331.444 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.43 | 6.94 | -14.45 | 0 | 7 | 0 | 69 | 330.436 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[1-(4-pyrimidylmethyl)-4-piperidyl]-1,4-dihydro-1,2,4-triazol-5-one](http://zinc12.docking.org/img/rings/579757.gif)