| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2008 | 24 | Yes |
Popular Name: 7-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-1,3-dimethyl-purine-2,6-dione 7-[(2S)-2-hydroxy-3-(4-methylpip…
| 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) | -0.66 | 4.52 | -43.62 | 2 | 9 | 1 | 90 | 337.404 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.66 | 2.05 | -10.73 | 1 | 9 | 0 | 89 | 336.396 | 4 | ↓ |
