| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2004 | 29 | Yes |
Popular Name: 7-[3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propyl]-1,3-dimethyl-xanthine 7-[3-(2,6-diketo-1,3-dimethyl-pu…
| 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) | 0.08 | 0.85 | -18.28 | 0 | 12 | 0 | 123 | 400.399 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.08 | 1.1 | -54.85 | 1 | 12 | 1 | 124 | 401.407 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.08 | 1.38 | -107.64 | 2 | 12 | 2 | 126 | 402.415 | 4 | ↓ |
