| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 26th, 2008 | 21 | Yes |
Popular Name: 1-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]propan-1-one 1-[4-[3-(4-methylpiperazin-1-yl)…
| 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) | 2.59 | 7.69 | -42.11 | 1 | 4 | 1 | 34 | 291.415 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.59 | 7.55 | -45.83 | 1 | 4 | 1 | 34 | 291.415 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.59 | 5.23 | -8.85 | 0 | 4 | 0 | 33 | 290.407 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0115079A1; US4618611 | IBM Patent Data |
