| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 5th, 2008 | 28 | Yes |
Popular Name: 7-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-8-(isopropylamino)-3-methyl-purine-2,6-dione 7-[(2S)-2-hydroxy-3-(4-methylphe…
| 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) | 1.39 | -4.14 | -15.28 | 3 | 9 | 0 | 114 | 387.44 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.39 | -3.85 | -42.18 | 4 | 9 | 1 | 115 | 388.448 | 7 | ↓ |
