| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2011 | 24 | Yes |
Popular Name: [4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(2-hydroxyphenyl)methanone [4-[(2-fluorophenyl)methyl]-1,4-…
| 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) | 3.07 | 8.66 | -41.19 | 2 | 4 | 1 | 45 | 329.395 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.07 | 7.63 | -57.54 | 0 | 4 | -1 | 47 | 327.379 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.07 | 6.8 | -11.97 | 1 | 4 | 0 | 44 | 328.387 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
