| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 9th, 2011 | 25 | Yes |
Popular Name: 4-[[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile 4-[[4-(2-fluorobenzoyl)-1,4-diaz…
| 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) | 2.34 | 11.46 | -55.09 | 1 | 4 | 1 | 49 | 338.406 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.34 | 9.63 | -15.53 | 0 | 4 | 0 | 47 | 337.398 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
