In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 22nd, 2008 | 21 | Yes |
Popular Name: 1-[(6R)-6-hydroxyheptyl]-3,7-dimethyl-purine-2,6-dione 1-[(6R)-6-hydroxyheptyl]-3,7-dim…
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) | 1.35 | 6.49 | -12.88 | 1 | 7 | 0 | 82 | 294.355 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.35 | 6.98 | -48 | 2 | 7 | 1 | 83 | 295.363 | 6 | ↓ |