| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 31 | No |
Popular Name: 2-[(E)-4-(5-oct-1-ynyl-2,4-dioxo-pyrimidin-1-yl)but-2-enyl]isoindoline-1,3-dione 2-[(E)-4-(5-oct-1-ynyl-2,4-dioxo…
| 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) | 4.20 | 11.6 | -21.07 | 1 | 7 | 0 | 94 | 419.481 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.66 | 9.05 | -64.18 | 0 | 7 | -1 | 97 | 418.473 | 8 | ↓ |
