| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2009 | 39 | Yes |
Popular Name: 1-[(4-butoxyphenyl)methyl]-4-[3-[4-[(4-butoxyphenyl)methyl]piperazin-1-yl]propyl]piperazine 1-[(4-butoxyphenyl)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) | 6.21 | 15.2 | -95.59 | 2 | 6 | 2 | 34 | 538.821 | 16 | ↓ |
| Hi High (pH 8-9.5) | 6.21 | 10.67 | -5.93 | 0 | 6 | 0 | 31 | 536.805 | 16 | ↓ |
| Mid Mid (pH 6-8) | 6.21 | 15.22 | -112.63 | 2 | 6 | 2 | 34 | 538.821 | 16 | ↓ |
| Mid Mid (pH 6-8) | 6.21 | 12.94 | -41.29 | 1 | 6 | 1 | 33 | 537.813 | 16 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4725597 | IBM Patent Data |
