| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 13th, 2008 | 29 | Yes |
Popular Name: 8-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3-methyl-7-(o-tolylmethyl)purine-2,6-dione 8-[[(2S,6R)-2,6-dimethylmorpholi…
| 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) | 1.53 | 6.82 | -10.51 | 1 | 8 | 0 | 85 | 397.479 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.53 | 9.59 | -133.39 | 3 | 8 | 2 | 88 | 399.495 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.53 | 9.23 | -54.99 | 2 | 8 | 1 | 86 | 398.487 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
