| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2009 | 19 | Yes |
Popular Name: 3-butyl-1-[(2S)-2-hydroxypropyl]-7H-purine-2,6-dione 3-butyl-1-[(2S)-2-hydroxypropyl]…
| 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) | 1.16 | 4.82 | -11.67 | 2 | 7 | 0 | 93 | 266.301 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.68 | 3.49 | -39.11 | 1 | 7 | -1 | 96 | 265.293 | 5 | ↓ |
