| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 20 | Yes |
Popular Name: 1-(4-methylpiperazin-1-yl)-2-(2-phenylsulfanylethylamino)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) | 1.05 | 5.63 | -48.05 | 2 | 4 | 1 | 40 | 294.444 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.05 | 4.28 | -8.77 | 1 | 4 | 0 | 36 | 293.436 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.05 | 7.97 | -105.06 | 3 | 4 | 2 | 41 | 295.452 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.05 | 6.63 | -45.12 | 2 | 4 | 1 | 37 | 294.444 | 6 | ↓ |
