| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2011 | 24 | Yes |
Popular Name: 2-[4-(4-cyano-2,6-difluoro-phenyl)-1,4-diazepan-1-yl]-N-isopropyl-acetamide 2-[4-(4-cyano-2,6-difluoro-pheny…
| 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) | 2.42 | 8.62 | -40.32 | 2 | 5 | 1 | 61 | 337.394 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.42 | 6.91 | -9.55 | 1 | 5 | 0 | 59 | 336.386 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
