In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 27th, 2006 | 24 | Yes |
Popular Name: 7-[2-(2,4-dichlorophenyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione 7-[2-(2,4-dichlorophenyl)-2-oxo-…
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) | 2.49 | 9.83 | -18.05 | 0 | 7 | 0 | 79 | 367.192 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.49 | 10.31 | -55.74 | 1 | 7 | 1 | 80 | 368.2 | 3 | ↓ |