| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2009 | 28 | No |
Popular Name: 3,7-dimethyl-1-[3-[methyl-[(2-nitrophenyl)methyl]amino]propyl]purine-2,6-dione 3,7-dimethyl-1-[3-[methyl-[(2-ni…
| 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) | 1.67 | 12.39 | -45.45 | 1 | 10 | 1 | 112 | 387.42 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.67 | 10.31 | -19.25 | 0 | 10 | 0 | 111 | 386.412 | 7 | ↓ |
