| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 15th, 2009 | 31 | Yes |
Popular Name: 2-(4-methylpiperazin-1-yl)-6-[(2-phenoxyacetyl)amino]quinoline-4-carboxylic 2-(4-methylpiperazin-1-yl)-6-[(2…
| 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) | 2.92 | 9.26 | -73.81 | 2 | 8 | 0 | 99 | 420.469 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.92 | 9.52 | -101.75 | 3 | 8 | 1 | 100 | 421.477 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.92 | 7.05 | -46.65 | 2 | 8 | 0 | 99 | 420.469 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.92 | 6.79 | -53.66 | 1 | 8 | -1 | 98 | 419.461 | 6 | ↓ |
