| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2004 | 28 | Yes |
Popular Name: 7-(3-bromobenzyl)-1,3-dimethyl-8-(4-methylpiperidino)xanthine 7-(3-bromobenzyl)-1,3-dimethyl-8…
| 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) | 4.01 | -1.64 | -6.45 | 0 | 7 | 0 | 65 | 446.349 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.01 | -1.36 | -34.18 | 1 | 7 | 1 | 66 | 447.357 | 3 | ↓ |
