| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2004 | 34 | Yes |
Popular Name: 7-[2-[(2,6-diketo-1,3-dimethyl-purin-7-yl)methyl]benzyl]-1,3-dimethyl-xanthine 7-[2-[(2,6-diketo-1,3-dimethyl-p…
| 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) | 1.33 | 12.1 | -20.09 | 0 | 12 | 0 | 124 | 462.47 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.33 | 12.58 | -65.58 | 1 | 12 | 1 | 125 | 463.478 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.33 | 13.06 | -138.36 | 2 | 12 | 2 | 126 | 464.486 | 4 | ↓ |
