| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 18 | No |
Popular Name: 3-[ethyl-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]amino]propanethioamide 3-[ethyl-[2-(4-methylpiperazin-1…
| 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) | -0.85 | 3.04 | -45.16 | 3 | 5 | 1 | 54 | 273.426 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.85 | 1.02 | -13.61 | 2 | 5 | 0 | 53 | 272.418 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.85 | 5.39 | -103.51 | 4 | 5 | 2 | 55 | 274.434 | 6 | ↓ |
