| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 28th, 2007 | 32 | Yes |
Popular Name: 7-[3-(3,4-dimethylphenoxy)-2-hydroxy-propyl]-8-hexylamino-3-methyl-purine-2,6-dione 7-[3-(3,4-dimethylphenoxy)-2-hyd…
| 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) | 3.54 | -3.88 | -15.61 | 3 | 9 | 0 | 114 | 443.548 | 11 | ↓ |
| Mid Mid (pH 6-8) | 3.54 | -3.65 | -45.09 | 4 | 9 | 1 | 115 | 444.556 | 11 | ↓ |
