| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 5th, 2008 | 26 | Yes |
Popular Name: 8-diethylamino-7-[(2S)-2-hydroxy-2-phenyl-ethyl]-3-methyl-purine-2,6-dione 8-diethylamino-7-[(2S)-2-hydroxy…
| 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) | 1.04 | -4.69 | -10.08 | 2 | 8 | 0 | 96 | 357.414 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.04 | -4.39 | -36.2 | 3 | 8 | 1 | 97 | 358.422 | 6 | ↓ |
