| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2009 | 31 | Yes |
Popular Name: 1-[(3-chlorophenyl)methyl]-4-[3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propyl]piperazine 1-[(3-chlorophenyl)methyl]-4-[3-…
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) | 4.53 | 10.34 | -39.37 | 1 | 4 | 1 | 14 | 462.489 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.53 | 8.07 | -4.31 | 0 | 4 | 0 | 13 | 461.481 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.53 | 12.62 | -111.51 | 2 | 4 | 2 | 15 | 463.497 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.53 | 12.6 | -94.46 | 2 | 4 | 2 | 15 | 463.497 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4725597 | IBM Patent Data |
