| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2007 | 28 | Yes |
Popular Name: 4-[[3-isobutyl-7-(2-methoxyethyl)-2,6-dioxo-purin-1-yl]methyl]benzonitrile 4-[[3-isobutyl-7-(2-methoxyethyl…
| 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) | 2.52 | 2.55 | -11.63 | 0 | 8 | 0 | 94 | 381.436 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.52 | 2.83 | -51.55 | 1 | 8 | 1 | 96 | 382.444 | 7 | ↓ |
