| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2011 | 24 | Yes |
Popular Name: 3-[(3R)-1-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]-3-piperidyl]-4-ethyl-1H-1,2,4-triazol-5-one 3-[(3R)-1-[(5-tert-butyl-1H-pyra…
None
| 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) | 1.95 | 7.75 | -55.79 | 3 | 7 | 1 | 84 | 333.46 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.95 | 5.52 | -11.34 | 2 | 7 | 0 | 83 | 332.452 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[1-(1H-pyrazol-5-ylmethyl)-3-piperidyl]-1,4-dihydro-1,2,4-triazol-5-one](http://zinc12.docking.org/img/rings/610138.gif)