| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 18 | Yes |
Popular Name: 7-Isoamyltheophylline; 7-Isopentyltheophylline; LS-149612; Theophylline, 7-isopentyl- 7-Isoamyltheophylline; 7-Isopent…
| 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) | 1.72 | 7.86 | -10.8 | 0 | 6 | 0 | 62 | 250.302 | 3 | ↓ |
