In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2008 | 30 | Yes |
Popular Name: 3-butyl-7-[(2-methoxyphenyl)methyl]-8-(4-pyridyl)purine-2,6-dione 3-butyl-7-[(2-methoxyphenyl)meth…
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) | 2.92 | 9.08 | -9.27 | 1 | 8 | 0 | 95 | 405.458 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.92 | 9.52 | -36.69 | 2 | 8 | 1 | 96 | 406.466 | 7 | ↓ |