| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2010 | 17 | Yes |
Popular Name: Theophylline, 7-propionyl- (7CI,8CI) Theophylline, 7-propionyl- (7CI,…
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CAS Number: 3056-20-0
| 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) | 0.82 | 6.94 | -20.55 | 0 | 7 | 0 | 79 | 236.231 | 1 | ↓ |
