| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 21 | Yes |
Popular Name: 2-amino-N-[2-[4-[(3-methylisoxazol-5-yl)methyl]piperazin-1-yl]-2-oxo-ethyl]acetamide 2-amino-N-[2-[4-[(3-methylisoxaz…
| 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) | -1.69 | -1.38 | -53.43 | 4 | 8 | 1 | 106 | 296.351 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.69 | -1.78 | -14.33 | 3 | 8 | 0 | 105 | 295.343 | 5 | ↓ |
| Mid Mid (pH 6-8) | -1.69 | 0.83 | -105.97 | 5 | 8 | 2 | 108 | 297.359 | 5 | ↓ |
