| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 9th, 2009 | 34 | Yes |
Popular Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(4-pyridyl)quinoline-4-carboxamide N-[2-(4-benzylpiperazin-1-yl)eth…
| 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) | 3.29 | 10.18 | -48.95 | 2 | 6 | 1 | 63 | 452.582 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.29 | 7.92 | -13.26 | 1 | 6 | 0 | 61 | 451.574 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.29 | 10.19 | -55.35 | 2 | 6 | 1 | 63 | 452.582 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.29 | 10.63 | -94.76 | 3 | 6 | 2 | 64 | 453.59 | 7 | ↓ |
