| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2005 | 20 | No |
Popular Name: 3-[(2-chlorophenyl)methylene]-6-isobutyl-piperazine-2,5-dione 3-[(2-chlorophenyl)methylene]-6-…
| 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) | 2.94 | 5.05 | -7.06 | 2 | 4 | 0 | 58 | 292.766 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.31 | 0.12 | -46 | 1 | 4 | -1 | 68 | 291.758 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.31 | 1.55 | -31.63 | 2 | 4 | 0 | 70 | 292.766 | 3 | ↓ |
