| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 13th, 2008 | 25 | Yes |
Popular Name: 7-butyl-8-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3-methyl-purine-2,6-dione 7-butyl-8-[[(2S,6R)-2,6-dimethyl…
| 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) | 0.97 | 4.86 | -10.03 | 1 | 8 | 0 | 85 | 349.435 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.97 | 7.54 | -133.16 | 3 | 8 | 2 | 88 | 351.451 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.97 | 7.11 | -54.91 | 2 | 8 | 1 | 86 | 350.443 | 5 | ↓ |
