| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 5th, 2008 | 32 | Yes |
Popular Name: 1-butyl-7-[(2-fluorophenyl)methyl]-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione 1-butyl-7-[(2-fluorophenyl)methy…
| 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) | 4.50 | 3.99 | -11.64 | 0 | 8 | 0 | 80 | 438.507 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.50 | 4.17 | -31.93 | 1 | 8 | 1 | 81 | 439.515 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
