| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2008 | 31 | Yes |
Popular Name: 2-[4-(7-butyl-3-isobutyl-2,6-dioxo-purin-8-yl)-2-methoxy-phenoxy]acetonitrile 2-[4-(7-butyl-3-isobutyl-2,6-dio…
| 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) | 3.16 | 9.51 | -18.26 | 1 | 9 | 0 | 115 | 425.489 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.16 | 9.94 | -49.11 | 2 | 9 | 1 | 116 | 426.497 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
