| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2010 | 18 | Yes |
Popular Name: Theophylline, 7-butyryl- (7CI,8CI) Theophylline, 7-butyryl- (7CI,8CI)
Find On: PubMed — Wikipedia — Google
CAS Number: 3056-21-1
| 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) | 1.38 | 7.71 | -20.05 | 0 | 7 | 0 | 79 | 250.258 | 2 | ↓ |
