| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2009 | 31 | Yes |
Popular Name: N-cycloheptyl-6-(4-methylpiperazin-1-yl)sulfonyl-4-oxo-1H-quinoline-3-carboxamide N-cycloheptyl-6-(4-methylpiperaz…
| 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) | 1.49 | 2.7 | -21.61 | 2 | 8 | 0 | 106 | 446.573 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.79 | 0.68 | -46.59 | 1 | 8 | -1 | 109 | 445.565 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.49 | 5.03 | -56.22 | 3 | 8 | 1 | 107 | 447.581 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.42 | 6.65 | -55.68 | 3 | 8 | 1 | 104 | 447.581 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.72 | 4.13 | -55.45 | 1 | 8 | -1 | 106 | 445.565 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.49 | 6.37 | -97.51 | 4 | 8 | 2 | 109 | 448.589 | 4 | ↓ |
