| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 19 | Yes |
Popular Name: 1-(4-methylpiperazin-1-yl)-2-[[(3S)-quinuclidin-3-yl]amino]ethanone 1-(4-methylpiperazin-1-yl)-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) | -0.01 | 4.15 | -115.34 | 3 | 5 | 2 | 45 | 268.405 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.01 | 0.55 | -7.16 | 1 | 5 | 0 | 39 | 266.389 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.01 | 1.73 | -42.93 | 2 | 5 | 1 | 43 | 267.397 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.01 | 6.56 | -186.33 | 4 | 5 | 3 | 46 | 269.413 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.01 | 2.98 | -40.37 | 2 | 5 | 1 | 40 | 267.397 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.01 | 5.32 | -87.3 | 3 | 5 | 2 | 41 | 268.405 | 3 | ↓ |
