| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2008 | 30 | Yes |
Popular Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propylamino]quinoline-4-carboxylic 2-[3-[4-(4-fluorophenyl)piperazi…
| 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) | 4.00 | 10.31 | -106.31 | 3 | 6 | 1 | 74 | 409.485 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.00 | 7.55 | -52.23 | 1 | 6 | -1 | 72 | 407.469 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.00 | 9.86 | -79.28 | 2 | 6 | 0 | 73 | 408.477 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.00 | 8 | -53.65 | 2 | 6 | 0 | 73 | 408.477 | 7 | ↓ |
