| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2008 | 30 | Yes |
Popular Name: 4-[[3-butyl-7-(2-furylmethyl)-2,6-dioxo-purin-1-yl]methyl]benzonitrile 4-[[3-butyl-7-(2-furylmethyl)-2,…
| 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) | 3.70 | 13.78 | -14.71 | 0 | 8 | 0 | 99 | 403.442 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.70 | 14.27 | -54.77 | 1 | 8 | 1 | 100 | 404.45 | 7 | ↓ |
