| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 28th, 2006 | 29 | Yes |
Popular Name: 8-butylamino-7-[2-hydroxy-3-(3-methylphenoxy)-propyl]-3-methyl-purine-2,6-dione 8-butylamino-7-[2-hydroxy-3-(3-m…
| 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) | 2.13 | 7.4 | -15.45 | 3 | 9 | 0 | 114 | 401.467 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.13 | 7.82 | -44.56 | 4 | 9 | 1 | 115 | 402.475 | 9 | ↓ |
