In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 19th, 2008 | 36 | Yes |
Popular Name: N-benzyl-2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-purin-1-yl]-N-cyclopropyl-acetamide N-benzyl-2-[3-benzyl-7-(2-methox…
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) | 2.76 | 15.01 | -19.43 | 0 | 9 | 0 | 91 | 487.56 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.76 | 15.52 | -56.44 | 1 | 9 | 1 | 93 | 488.568 | 10 | ↓ |