| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 23 | Yes |
Popular Name: 7-[2-(4-chlorophenyl)-2-keto-ethyl]-1,3-dimethyl-xanthine 7-[2-(4-chlorophenyl)-2-keto-eth…
| 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) | 1.89 | 1.35 | -16.51 | 0 | 7 | 0 | 78 | 332.747 | 3 | ↓ |
| Mid Mid (pH 6-8) | -2.60 | 1.63 | -54.11 | 1 | 7 | 1 | 80 | 333.755 | 3 | ↓ |
