| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 27th, 2006 | 21 | Yes |
Popular Name: 8-(2,5-dimethylpiperazin-1-yl)-1,3-dimethyl-7H-purine-2,6-dione 8-(2,5-dimethylpiperazin-1-yl)-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) | 0.72 | 6.47 | -52.62 | 3 | 8 | 1 | 93 | 293.351 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.72 | 5.32 | -8.36 | 2 | 8 | 0 | 88 | 292.343 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.24 | 5.18 | -57.29 | 2 | 8 | 0 | 96 | 292.343 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.24 | 4.02 | -41.61 | 1 | 8 | -1 | 91 | 291.335 | 1 | ↓ |
