| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2009 | 20 | Yes |
Popular Name: (2S)-2-(4-ethylpiperazin-1-yl)-3-methyl-1-piperazin-1-yl-butan-1-one (2S)-2-(4-ethylpiperazin-1-yl)-3…
| 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) | 0.37 | 5.01 | -91.16 | 3 | 5 | 2 | 45 | 284.448 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.37 | 1.34 | -7.92 | 1 | 5 | 0 | 39 | 282.432 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.37 | 4.54 | -96.94 | 3 | 5 | 2 | 45 | 284.448 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.37 | 3.48 | -38.13 | 2 | 5 | 1 | 40 | 283.44 | 4 | ↓ |
