| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2008 | 25 | Yes |
Popular Name: 1-[(3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl]-1,2,4-triazole-3-carbonitrile 1-[(3-butyl-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) | -0.06 | 7.64 | -19.77 | 1 | 10 | 0 | 127 | 342.363 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.06 | 8.09 | -59.1 | 2 | 10 | 1 | 128 | 343.371 | 6 | ↓ |
