In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 28 | Yes |
Popular Name: N-butyl-6-(4-methylpiperazin-1-yl)sulfonyl-4-oxo-1H-quinoline-3-carboxamide N-butyl-6-(4-methylpiperazin-1-y…
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) | 0.45 | 2.69 | -19.38 | 2 | 8 | 0 | 103 | 406.508 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.75 | 2.55 | -54.2 | 1 | 8 | -1 | 106 | 405.5 | 6 | ↓ |