| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 2nd, 2009 | 18 | Yes |
Popular Name: 2-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-1H-pyrimidin-6-one 2-[2-(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) | 0.63 | 2.02 | -66.31 | 1 | 6 | 0 | 74 | 268.342 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.18 | 3.44 | -55.03 | 2 | 6 | 1 | 70 | 269.35 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.18 | 1.66 | -12.76 | 1 | 6 | 0 | 69 | 268.342 | 3 | ↓ |
