| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 5th, 2008 | 27 | Yes |
Popular Name: 2-[7-isopropyl-3-methyl-2,6-dioxo-8-(3,4,5-trimethylpyrazol-1-yl)purin-1-yl]acetamide 2-[7-isopropyl-3-methyl-2,6-diox…
| 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) | 0.82 | 0.53 | -16.29 | 2 | 10 | 0 | 123 | 373.417 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.82 | 0.72 | -35.46 | 3 | 10 | 1 | 124 | 374.425 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
