| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2009 | 25 | Yes |
Popular Name: (6R)-4-(4-fluorophenyl)-6-methyl-2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline (6R)-4-(4-fluorophenyl)-6-methyl…
| 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) | 4.56 | 12.99 | -95.05 | 2 | 3 | 2 | 22 | 341.474 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.56 | 10.35 | -5 | 0 | 3 | 0 | 19 | 339.458 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.56 | 12.7 | -39.65 | 1 | 3 | 1 | 21 | 340.466 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.56 | 10.63 | -27.78 | 1 | 3 | 1 | 21 | 340.466 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0385237A2; EP0385237B1; US5021421 | IBM Patent Data |
