| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 25 | Yes |
Popular Name: 1-(2,6-diketo-1,3-dimethyl-7-propyl-purin-8-yl)isonipecotamide 1-(2,6-diketo-1,3-dimethyl-7-pro…
| 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) | 0.87 | -4.13 | -13.12 | 2 | 9 | 0 | 108 | 348.407 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.87 | -3.85 | -44.71 | 3 | 9 | 1 | 109 | 349.415 | 4 | ↓ |
