| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 13th, 2008 | 25 | Yes |
Popular Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(3-methylsulfanylphenyl)acetamide 2-(1,3-dimethyl-2,6-dioxo-purin-…
| 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) | 1.28 | 8.32 | -21.7 | 1 | 8 | 0 | 91 | 359.411 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.28 | 8.81 | -55.85 | 2 | 8 | 1 | 92 | 360.419 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
