| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2008 | 16 | Yes |
Popular Name: (2S)-1-(4-allylpiperazin-1-yl)-2-amino-3-methyl-butan-1-one (2S)-1-(4-allylpiperazin-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) | 0.19 | 1.89 | -43.76 | 3 | 4 | 1 | 51 | 226.344 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.19 | 1.6 | -5.03 | 2 | 4 | 0 | 50 | 225.336 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.19 | 4.16 | -98.15 | 4 | 4 | 2 | 52 | 227.352 | 4 | ↓ |
