In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 18th, 2008 | 36 | Yes |
Popular Name: 3,7-dibenzyl-1-[2-(4-methoxyphenoxy)ethyl]purine-2,6-dione 3,7-dibenzyl-1-[2-(4-methoxyphen…
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) | 4.99 | 16.1 | -15.4 | 0 | 8 | 0 | 80 | 482.54 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.99 | 16.61 | -55.31 | 1 | 8 | 1 | 82 | 483.548 | 9 | ↓ |