| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 20 | Yes |
Popular Name: 3-(ethylamino)-1-[4-[(3-methylisoxazol-5-yl)methyl]piperazin-1-yl]propan-1-one 3-(ethylamino)-1-[4-[(3-methylis…
| 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) | -0.02 | 3.56 | -50.69 | 2 | 6 | 1 | 66 | 281.38 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.02 | 5.78 | -108.27 | 3 | 6 | 2 | 67 | 282.388 | 6 | ↓ |
