In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2011 | 25 | Yes |
Popular Name: 3,7-dimethyl-1-[3-[(6S)-2,2,6-trimethylmorpholin-4-yl]propyl]purine-2,6-dione 3,7-dimethyl-1-[3-[(6S)-2,2,6-tr…
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) | 1.38 | 7.55 | -12.37 | 0 | 8 | 0 | 74 | 349.435 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.38 | 9.51 | -40.97 | 1 | 8 | 1 | 76 | 350.443 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.