In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 20th, 2007 | 32 | Yes |
Popular Name: 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-purin-1-yl]-N-(3-ethoxypropyl)acetamide 2-[3-benzyl-7-(2-methoxyethyl)-2…
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) | 1.38 | 9.31 | -19.44 | 1 | 10 | 0 | 109 | 443.504 | 12 | ↓ |
Mid Mid (pH 6-8) | 1.38 | -1.07 | -56.96 | 2 | 10 | 1 | 110 | 444.512 | 12 | ↓ |