| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2009 | 27 | No |
Popular Name: 3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-1-(3-nitrophenyl)propan-1-one 3-[4-[(4-fluorophenyl)methyl]pip…
| 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) | 3.15 | 10.83 | -59.95 | 1 | 6 | 1 | 71 | 372.42 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.15 | 8.57 | -16.59 | 0 | 6 | 0 | 69 | 371.412 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.15 | 10.84 | -62.03 | 1 | 6 | 1 | 71 | 372.42 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5658909; US6075026 | IBM Patent Data |
