| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2011 | 22 | Yes |
Popular Name: 4-ethyl-3-[[1-[(1-methylimidazol-2-yl)methyl]-4-piperidyl]methyl]-1H-1,2,4-triazol-5-one 4-ethyl-3-[[1-[(1-methylimidazol…
| 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) | 0.13 | 6.45 | -38.45 | 2 | 7 | 1 | 73 | 305.406 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.13 | 5.78 | -15.75 | 1 | 7 | 0 | 72 | 304.398 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.13 | 8.67 | -116.93 | 3 | 7 | 2 | 74 | 306.414 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.13 | 8.01 | -50.14 | 2 | 7 | 1 | 73 | 305.406 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[[1-(1H-imidazol-2-ylmethyl)-4-piperidyl]methyl]-1,4-dihydro-1,2,4-triazol-5-one](http://zinc12.docking.org/img/rings/33543.gif)