| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 24 | Yes |
Popular Name: 2-[3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl-isopropyl-amino]acetamide 2-[3-(3,7-dimethyl-2,6-dioxo-pur…
| 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) | -0.23 | 5.63 | -42.76 | 3 | 9 | 1 | 109 | 337.404 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.23 | 3.87 | -18.78 | 2 | 9 | 0 | 108 | 336.396 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
