| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 20 | Yes |
Popular Name: 2-(isopropylamino)-1-[4-[(3-methylisoxazol-5-yl)methyl]piperazin-1-yl]ethanone 2-(isopropylamino)-1-[4-[(3-meth…
| 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) | 0.36 | 3.45 | -46.12 | 2 | 6 | 1 | 66 | 281.38 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.36 | 2.24 | -12.7 | 1 | 6 | 0 | 62 | 280.372 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.36 | 5.66 | -108.06 | 3 | 6 | 2 | 67 | 282.388 | 5 | ↓ |
