| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2007 | 31 | Yes |
Popular Name: 2-(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)-N-(3-pyridylmethyl)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) | 1.30 | -0.74 | -19.17 | 1 | 9 | 0 | 103 | 418.457 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.30 | -0.39 | -55.72 | 2 | 9 | 1 | 105 | 419.465 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.30 | -0.63 | -48.45 | 2 | 9 | 1 | 105 | 419.465 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.30 | -0.28 | -94.09 | 3 | 9 | 2 | 106 | 420.473 | 7 | ↓ |
