| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2011 | 23 | Yes |
Popular Name: 2-[(1,3-dimethyl-2,6-dioxo-9H-purin-8-yl)sulfanyl]-N-[(1S)-1,2-dimethylpropyl]acetamide 2-[(1,3-dimethyl-2,6-dioxo-9H-pu…
| 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) | 0.98 | 3.72 | -40.01 | 1 | 8 | -1 | 105 | 338.413 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.47 | 5.04 | -12.07 | 2 | 8 | 0 | 102 | 339.421 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
