| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 27 | No |
Popular Name: 8-(4-prop-2-enoylphenyl)-1,3-dipropyl-7H-purine-2,6-dione 8-(4-prop-2-enoylphenyl)-1,3-dip…
| 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) | 4.04 | 10.54 | -11.7 | 1 | 7 | 0 | 90 | 366.421 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.55 | 9.27 | -41.57 | 0 | 7 | -1 | 93 | 365.413 | 7 | ↓ |
