| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2008 | 18 | Yes |
Popular Name: 1-(4-methylpiperazin-1-yl)-2-(2-pyridylmethylamino)ethanone 1-(4-methylpiperazin-1-yl)-2-(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) | -0.43 | 3.57 | -46.96 | 2 | 5 | 1 | 50 | 249.338 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.43 | 1.23 | -10.51 | 1 | 5 | 0 | 48 | 248.33 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.43 | 5.01 | -101.87 | 3 | 5 | 2 | 54 | 250.346 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.43 | 3.97 | -83.78 | 3 | 5 | 2 | 51 | 250.346 | 4 | ↓ |
