| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 9th, 2011 | 28 | Yes |
Popular Name: 2-[(3S)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-5-hydroxy-pyran-4-one 2-[(3S)-3-[4-(4-fluorophenyl)-1H…
| 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) | 1.72 | 7.08 | -54.87 | 1 | 7 | -1 | 102 | 382.371 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.72 | 6.22 | -22.1 | 2 | 7 | 0 | 99 | 383.379 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-[3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]pyran-4-one](http://zinc12.docking.org/img/rings/521332.gif)