| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 21 | Yes |
Popular Name: 2-[4-(5,8-difluoro-4-quinolyl)piperazin-1-yl]ethanol 2-[4-(5,8-difluoro-4-quinolyl)pi…
| 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) | 1.77 | 3.77 | -33.53 | 2 | 4 | 1 | 41 | 294.325 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.77 | 3.33 | -8.34 | 1 | 4 | 0 | 40 | 293.317 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.77 | 6.08 | -86.13 | 3 | 4 | 2 | 42 | 295.333 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
