| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 20 | Yes |
Popular Name: 2-methyl-2-(methylamino)-1-[4-[(3-methylisoxazol-5-yl)methyl]piperazin-1-yl]propan-1-one 2-methyl-2-(methylamino)-1-[4-[(…
| 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) | 0.49 | 2.54 | -42.82 | 2 | 6 | 1 | 66 | 281.38 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.49 | 2.57 | -10.78 | 1 | 6 | 0 | 62 | 280.372 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.49 | 4.74 | -102.73 | 3 | 6 | 2 | 67 | 282.388 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
