| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 14th, 2005 | 27 | Yes |
Popular Name: 3-methyl-8-(4-methylpiperazin-1-yl)-7-(p-tolylmethyl)purine-2,6-dione 3-methyl-8-(4-methylpiperazin-1-…
| 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) | 1.41 | 10.51 | -53.67 | 2 | 8 | 1 | 80 | 369.449 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.41 | 8.14 | -8.64 | 1 | 8 | 0 | 79 | 368.441 | 3 | ↓ |
