| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 22nd, 2010 | 20 | Yes |
Popular Name: 2-[4-[(1S)-1-methylallyl]piperazin-1-yl]-N-(5-methylisoxazol-3-yl)acetamide 2-[4-[(1S)-1-methylallyl]piperaz…
| 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) | 1.21 | 4.95 | -39.54 | 2 | 6 | 1 | 63 | 279.364 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.21 | 4.91 | -45.52 | 2 | 6 | 1 | 63 | 279.364 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.21 | 2.73 | -9.57 | 1 | 6 | 0 | 62 | 278.356 | 5 | ↓ |
