| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 13th, 2009 | 17 | Yes |
Popular Name: 2-[2-(4-amino-1-piperidyl)acetyl]-5-methyl-isoxazol-3-one 2-[2-(4-amino-1-piperidyl)acetyl…
| 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) | -0.67 | 3.58 | -47.26 | 3 | 6 | 1 | 83 | 240.283 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.67 | 1.74 | -55.15 | 3 | 6 | 1 | 83 | 240.283 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.67 | 3.91 | -117.12 | 4 | 6 | 2 | 84 | 241.291 | 2 | ↓ |
