| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 21 | Yes |
Popular Name: 1-[4-[(3-methylisoxazol-5-yl)methyl]piperazin-1-yl]-2-[[(1R)-1-methylpropyl]amino]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) | 0.89 | 4.27 | -46.01 | 2 | 6 | 1 | 66 | 295.407 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.89 | 3.23 | -12.25 | 1 | 6 | 0 | 62 | 294.399 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.89 | 6.49 | -108.75 | 3 | 6 | 2 | 67 | 296.415 | 6 | ↓ |
