| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2008 | 30 | Yes |
Popular Name: 3-butyl-7-cyclopentyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione 3-butyl-7-cyclopentyl-8-[4-(trif…
| 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) | 4.90 | 11.31 | -7.92 | 1 | 6 | 0 | 73 | 420.435 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.90 | 11.75 | -39.57 | 2 | 6 | 1 | 74 | 421.443 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
