| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 30th, 2009 | 30 | No |
Popular Name: (E)-3-[4-(1,3-diisobutyl-2,6-dioxo-7H-purin-8-yl)phenyl]prop-2-enoic (E)-3-[4-(1,3-diisobutyl-2,6-dio…
| 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) | 4.33 | 12.05 | -50.22 | 1 | 8 | -1 | 113 | 409.466 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.84 | 10.76 | -94.08 | 0 | 8 | -2 | 116 | 408.458 | 7 | ↓ |
