| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 26 | Yes |
Popular Name: N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide N-[2-(4-methylsulfonylpiperazin-…
| 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) | -0.88 | 1.14 | -21.83 | 2 | 8 | 0 | 103 | 378.454 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.42 | 0.98 | -59.59 | 1 | 8 | -1 | 106 | 377.446 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.88 | 3.33 | -50.96 | 3 | 8 | 1 | 104 | 379.462 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
