| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 5th, 2008 | 28 | Yes |
Popular Name: 1-(3,3-dimethyl-2-oxo-butyl)-3,7-dimethyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione 1-(3,3-dimethyl-2-oxo-butyl)-3,7…
| 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) | 2.22 | 4.18 | -13.89 | 0 | 9 | 0 | 97 | 386.456 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.22 | 4.36 | -34.22 | 1 | 9 | 1 | 98 | 387.464 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
