| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 30 | Yes |
Popular Name: 7-[(5S)-8-(diethylamino)-5-hydroxy-5-methyl-oct-6-ynyl]-3-methyl-1-propyl-purine-2,6-dione 7-[(5S)-8-(diethylamino)-5-hydro…
| 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) | 3.17 | 11.79 | -43.62 | 2 | 8 | 1 | 87 | 418.562 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.17 | 9.94 | -13.5 | 1 | 8 | 0 | 85 | 417.554 | 10 | ↓ |
