| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 14th, 2011 | 24 | Yes |
Popular Name: (3S)-1-isobutyl-3-methyl-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperazin-2-one (3S)-1-isobutyl-3-methyl-4-[3-(1…
| 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) | 1.47 | 7.97 | -17.45 | 0 | 6 | 0 | 58 | 334.464 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.47 | 8.1 | -43.29 | 1 | 6 | 1 | 60 | 335.472 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-2-one](http://zinc12.docking.org/img/rings/497231.gif)