| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2005 | 21 | No |
Popular Name: 3-isobutyl-6-[(4-methoxyphenyl)methylene]piperazine-2,5-dione 3-isobutyl-6-[(4-methoxyphenyl)m…
| 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) | 2.54 | 3.93 | -9.06 | 2 | 5 | 0 | 67 | 288.347 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.91 | -1.02 | -45.64 | 1 | 5 | -1 | 77 | 287.339 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.91 | 0.41 | -31.1 | 2 | 5 | 0 | 79 | 288.347 | 4 | ↓ |
