| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 26th, 2008 | 33 | No |
Popular Name: 3-benzyl-7-isopentyl-1-[(4-nitrophenyl)methyl]purine-2,6-dione 3-benzyl-7-isopentyl-1-[(4-nitro…
| 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) | 4.86 | 16.45 | -12 | 0 | 9 | 0 | 108 | 447.495 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.86 | 16.95 | -54.55 | 1 | 9 | 1 | 109 | 448.503 | 8 | ↓ |
