| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 15th, 2006 | 27 | Yes |
Popular Name: 2-[3-benzyl-7-(2-furylmethyl)-2,6-dioxo-purin-1-yl]acetonitrile 2-[3-benzyl-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) | 2.30 | 11.63 | -17.25 | 0 | 8 | 0 | 99 | 361.361 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.30 | 12.14 | -59.85 | 1 | 8 | 1 | 100 | 362.369 | 5 | ↓ |
