In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 11th, 2006 | 27 | Yes |
Popular Name: 7-(2-ethoxyethyl)-8-[(2-ethyl-1-piperidyl)methyl]-1,3-dimethyl-purine-2,6-dione 7-(2-ethoxyethyl)-8-[(2-ethyl-1-…
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) | 2.11 | 9.76 | -45.89 | 1 | 8 | 1 | 76 | 378.497 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.11 | 10.21 | -123.14 | 2 | 8 | 2 | 77 | 379.505 | 7 | ↓ |