| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 22nd, 2009 | 27 | Yes |
Popular Name: 3-[[5-oxo-4-[(2,4,6-trifluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile 3-[[5-oxo-4-[(2,4,6-trifluorophe…
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| 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) | 2.70 | 11.52 | -64.43 | 1 | 4 | 1 | 49 | 374.386 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.70 | 9.39 | -11.82 | 0 | 4 | 0 | 47 | 373.378 | 4 | ↓ |
