| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2010 | 20 | Yes |
Popular Name: 1-[4-[(3-methylisoxazol-5-yl)methyl]piperazin-1-yl]-2-(propylamino)ethanone 1-[4-[(3-methylisoxazol-5-yl)met…
| 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) | 0.21 | 3.7 | -48.9 | 2 | 6 | 1 | 66 | 281.38 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.21 | 2.34 | -12.53 | 1 | 6 | 0 | 62 | 280.372 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.21 | 5.91 | -110.89 | 3 | 6 | 2 | 67 | 282.388 | 6 | ↓ |
