| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2010 | 18 | Yes |
Popular Name: 1-(4-methylpiperazin-1-yl)-2-[[(2R)-tetrahydropyran-2-yl]methylamino]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) | -0.13 | 2.59 | -42.46 | 2 | 5 | 1 | 49 | 256.37 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.13 | 1.26 | -8.63 | 1 | 5 | 0 | 45 | 255.362 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.13 | 3.6 | -44.45 | 2 | 5 | 1 | 46 | 256.37 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.13 | 4.94 | -98.95 | 3 | 5 | 2 | 51 | 257.378 | 4 | ↓ |
