In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 19th, 2008 | 33 | Yes |
Popular Name: 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-purin-1-yl]-N-(2-diethylaminoethyl)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) | 1.53 | 11.36 | -49.49 | 2 | 10 | 1 | 105 | 457.555 | 12 | ↓ |
Hi High (pH 8-9.5) | 1.53 | 9.15 | -20.58 | 1 | 10 | 0 | 103 | 456.547 | 12 | ↓ |
No pre-computed analogs available. Try a structural similarity search.