| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2010 | 26 | Yes |
Popular Name: 4-[[4-(2-chloro-6-fluoro-benzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile 4-[[4-(2-chloro-6-fluoro-benzoyl…
| 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) | 2.97 | 12.06 | -53.22 | 1 | 4 | 1 | 49 | 372.851 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.97 | 10.18 | -14.07 | 0 | 4 | 0 | 47 | 371.843 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
