| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 5th, 2008 | 32 | Yes |
Popular Name: 2-[8-(3,5-dimethylpyrazol-1-yl)-3-methyl-2,6-dioxo-7-(3-phenylpropyl)purin-1-yl]acetamide 2-[8-(3,5-dimethylpyrazol-1-yl)-…
| 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) | 2.03 | 12.16 | -17.73 | 2 | 10 | 0 | 123 | 435.488 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.03 | 0.53 | -38.22 | 3 | 10 | 1 | 124 | 436.496 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
