| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2005 | 29 | Yes |
Popular Name: 7-allyl-3-methyl-8-[4-(p-tolylmethyl)piperazin-1-yl]-purine-2,6-dione 7-allyl-3-methyl-8-[4-(p-tolylme…
| 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) | 1.86 | 10.34 | -50.83 | 2 | 8 | 1 | 80 | 395.487 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.86 | 10.83 | -113.66 | 3 | 8 | 2 | 82 | 396.495 | 5 | ↓ |
