| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 15th, 2009 | 34 | Yes |
Popular Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-6-[(2-phenoxyacetyl)amino]quinoline-4-carboxylic 2-[4-(2-cyanoethyl)piperazin-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) | 2.38 | 7.93 | -57.47 | 1 | 9 | -1 | 122 | 458.498 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.38 | 8.18 | -53.72 | 2 | 9 | 0 | 123 | 459.506 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.38 | 10.3 | -88.08 | 2 | 9 | 0 | 123 | 459.506 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.38 | 10.56 | -121.62 | 3 | 9 | 1 | 124 | 460.514 | 8 | ↓ |
