| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 19 | Yes |
Popular Name: 1-(4-hydroxy-4-methyl-pentyl)-3-methyl-7H-purine-2,6-dione 1-(4-hydroxy-4-methyl-pentyl)-3-…
| 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) | 0.71 | 3.76 | -13.12 | 2 | 7 | 0 | 93 | 266.301 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.22 | 2.43 | -40.8 | 1 | 7 | -1 | 96 | 265.293 | 4 | ↓ |
