| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2011 | 24 | Yes |
Popular Name: 4-ethyl-5-[(3R)-1-[(5-ethyl-2-pyridyl)methyl]-3-piperidyl]-2-methyl-1,2,4-triazol-3-one 4-ethyl-5-[(3R)-1-[(5-ethyl-2-py…
| 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 | 7.96 | -11.32 | 0 | 6 | 0 | 56 | 329.448 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.20 | 8.32 | -40.47 | 1 | 6 | 1 | 57 | 330.456 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.20 | 10.22 | -48.83 | 1 | 6 | 1 | 57 | 330.456 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[1-(2-pyridylmethyl)-3-piperidyl]-1,4-dihydro-1,2,4-triazol-5-one](http://zinc12.docking.org/img/rings/534392.gif)