| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2004 | 29 | Yes |
Popular Name: 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-(4-methylpiperidino)xanthine 1-(3,4-dichlorobenzyl)-3,7-dimet…
| 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) | 4.51 | 12.48 | -6.62 | 0 | 7 | 0 | 65 | 436.343 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.51 | 12.97 | -34.99 | 1 | 7 | 1 | 66 | 437.351 | 3 | ↓ |
