| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2004 | 23 | Yes |
Popular Name: 7-[2-(3,4-dichlorophenyl)-2-keto-ethyl]-3-methyl-xanthine 7-[2-(3,4-dichlorophenyl)-2-keto…
| 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) | 1.48 | 7.6 | -18.44 | 1 | 7 | 0 | 90 | 353.165 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.48 | 8.09 | -58.22 | 2 | 7 | 1 | 91 | 354.173 | 3 | ↓ |
