In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 5th, 2008 | 27 | Yes |
Popular Name: 1-(2-ethoxyethyl)-7-ethyl-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione 1-(2-ethoxyethyl)-7-ethyl-3-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) | 2.09 | 2.77 | -10.39 | 0 | 9 | 0 | 89 | 374.445 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.09 | 2.93 | -30.83 | 1 | 9 | 1 | 90 | 375.453 | 6 | ↓ |