| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2011 | 23 | Yes |
Popular Name: [4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(2-methyl-3-furyl)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) | 1.75 | 9.99 | -37.74 | 1 | 4 | 1 | 38 | 317.384 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.75 | 8.09 | -9.3 | 0 | 4 | 0 | 37 | 316.376 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
