| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 28th, 2006 | 30 | Yes |
Popular Name: 8-butylamino-7-[3-(3,4-dimethylphenoxy)-2-hydroxy-propyl]-3-methyl-purine-2,6-dione 8-butylamino-7-[3-(3,4-dimethylp…
| 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) | 2.53 | 7.94 | -15.55 | 3 | 9 | 0 | 114 | 415.494 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.53 | 8.36 | -44.57 | 4 | 9 | 1 | 115 | 416.502 | 9 | ↓ |
