| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2011 | 25 | Yes |
Popular Name: 4-[[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]benzamide 4-[[4-[(2-fluorophenyl)methyl]-1…
| 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) | 2.24 | 6.99 | -47 | 3 | 4 | 1 | 51 | 342.438 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.24 | 7 | -42.34 | 3 | 4 | 1 | 51 | 342.438 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.24 | 4.93 | -10.97 | 2 | 4 | 0 | 50 | 341.43 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
