| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 17th, 2006 | 29 | No |
Popular Name: 7-benzyl-3-phenyl-2-(4-pyridyl)-4-oxa-3,7-diazabicyclo[3.3.0]octane-6,8-dione 7-benzyl-3-phenyl-2-(4-pyridyl)-…
| 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) | 2.44 | 10.51 | -42.46 | 1 | 6 | 1 | 64 | 386.431 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.44 | 10.05 | -9.13 | 0 | 6 | 0 | 63 | 385.423 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.45 | 5.1 | -8.96 | 0 | 5 | 0 | 47 | 325.412 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.45 | 5.44 | -35.45 | 1 | 5 | 1 | 49 | 326.42 | 4 | ↓ |
