| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 17 | Yes |
Popular Name: 3-[ethyl-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]amino]propanenitrile 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) | -0.58 | 4.42 | -51.81 | 1 | 5 | 1 | 52 | 239.343 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.58 | 2.39 | -11.27 | 0 | 5 | 0 | 51 | 238.335 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.58 | 4.75 | -47.55 | 1 | 5 | 1 | 52 | 239.343 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.58 | 6.78 | -110.14 | 2 | 5 | 2 | 53 | 240.351 | 5 | ↓ |
