| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 2nd, 2008 | 32 | Yes |
Popular Name: 2-(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)-N-[(1S)-1-(3-pyridyl)ethyl]acetamide 2-(3-benzyl-7-ethyl-2,6-dioxo-pu…
| 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) | 1.86 | 11.53 | -19.19 | 1 | 9 | 0 | 104 | 432.484 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.86 | 12.04 | -55.62 | 2 | 9 | 1 | 105 | 433.492 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.86 | 11.81 | -49.74 | 2 | 9 | 1 | 105 | 433.492 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.86 | 12.32 | -94.96 | 3 | 9 | 2 | 106 | 434.5 | 7 | ↓ |
