| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 26th, 2004 | 28 | Yes |
Popular Name: 7-[(2S)-3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]-8-(ethylamino)-3-methyl-xanthine 7-[(2S)-3-(2,4-dichlorophenoxy)-…
| 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) | 1.92 | 6.27 | -16.65 | 3 | 9 | 0 | 114 | 428.276 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.38 | 3.59 | -58.03 | 2 | 9 | -1 | 117 | 427.268 | 7 | ↓ |
