| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 30 | Yes |
Popular Name: 7-[4-(3,3-dimethyl-2-oxo-butyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic 7-[4-(3,3-dimethyl-2-oxo-butyl)p…
| 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) | 0.78 | 11.2 | -67.88 | 0 | 7 | -1 | 86 | 416.473 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.78 | 9.2 | -18.19 | 1 | 7 | 0 | 83 | 417.481 | 6 | ↓ |
| Mid Mid (pH 6-8) | -1.97 | 9.23 | -31.86 | 1 | 7 | 0 | 89 | 417.481 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.78 | 11.36 | -56.01 | 2 | 7 | 1 | 84 | 418.489 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
