| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 30th, 2008 | 33 | Yes |
Popular Name: 3-benzyl-1-[(4-tert-butylphenyl)methyl]-7-isobutyl-purine-2,6-dione 3-benzyl-1-[(4-tert-butylphenyl)…
| 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) | 6.08 | 17.15 | -10.77 | 0 | 6 | 0 | 62 | 444.579 | 7 | ↓ |
| Mid Mid (pH 6-8) | 6.08 | 17.66 | -48.8 | 1 | 6 | 1 | 63 | 445.587 | 7 | ↓ |
