| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2009 | 27 | Yes |
Popular Name: 2-[2-[4-[[4-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethoxy]acetic 2-[2-[4-[[4-(4-chlorophenyl)phen…
| 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) | 3.34 | 11.18 | -52.94 | 1 | 5 | 0 | 57 | 388.895 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.34 | 11.1 | -65.06 | 1 | 5 | 0 | 57 | 388.895 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.34 | 8.86 | -49.03 | 0 | 5 | -1 | 56 | 387.887 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US6046332; WO1998002425A1 | IBM Patent Data |
