| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2011 | 22 | Yes |
Popular Name: 3-[[[(5R)-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]amino]methyl]benzonitrile 3-[[[(5R)-7-fluoro-2,3,4,5-tetra…
| 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) | 2.46 | 9.69 | -45.46 | 2 | 3 | 1 | 50 | 297.353 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.46 | 8.76 | -5.89 | 1 | 3 | 0 | 45 | 296.345 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
