| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2008 | 33 | Yes |
Popular Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-7-cyclopentyl-purine-2,6-dione 1-(1,3-benzodioxol-5-ylmethyl)-3…
| 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) | 4.54 | 13.9 | -11.79 | 0 | 8 | 0 | 80 | 444.491 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.54 | 14.4 | -49.01 | 1 | 8 | 1 | 82 | 445.499 | 5 | ↓ |
