| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 2nd, 2011 | 22 | Yes |
Popular Name: 1-(7-fluoro-2-oxo-1H-quinoline-3-carbonyl)piperidine-4-carbonitrile 1-(7-fluoro-2-oxo-1H-quinoline-3…
| 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) | 0.75 | 6.01 | -23.75 | 1 | 5 | 0 | 77 | 299.305 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.66 | 4.24 | -64.9 | 0 | 5 | -1 | 80 | 298.297 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
