| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 29 | Yes |
Popular Name: 3-[4-[4-(4-fluorophenyl)-4-oxo-butyl]piperazin-1-yl]-1-methyl-2H-indazol-6-one 3-[4-[4-(4-fluorophenyl)-4-oxo-b…
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) | 3.16 | 9.99 | -54.42 | 2 | 6 | 1 | 63 | 397.474 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.16 | 7.77 | -14.12 | 1 | 6 | 0 | 62 | 396.466 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5965554; US6008348 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
![4-[4-(1H-indazol-3-yl)piperazino]-1-phenyl-butan-1-one](http://zinc12.docking.org/img/rings/14172.gif)