| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2009 | 30 | Yes |
Popular Name: [8-[4-(4-methylpiperazin-1-yl)butoxy]-3,4-dihydro-2H-quinolin-1-yl]-(3-pyridyl)methanone [8-[4-(4-methylpiperazin-1-yl)bu…
| 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) | 2.82 | 11.04 | -40.69 | 1 | 6 | 1 | 50 | 409.554 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.82 | 8.67 | -10.77 | 0 | 6 | 0 | 49 | 408.546 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.82 | 10.92 | -40.4 | 1 | 6 | 1 | 50 | 409.554 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4845099 | IBM Patent Data |
