| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 24 | Yes |
Popular Name: 8-[benzyl(methyl)amino]-7-(2-hydroxyethyl)-3-methyl-xanthine 8-[benzyl(methyl)amino]-7-(2-hyd…
| 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) | 0.24 | -6.71 | -10.67 | 2 | 8 | 0 | 96 | 329.36 | 5 | ↓ |
| Mid Mid (pH 6-8) | -3.61 | -5.19 | -40.5 | 3 | 8 | 1 | 98 | 330.368 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
