| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 21 | Yes |
Popular Name: [4-(ethylamino)-3,5-difluoro-phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone [4-(ethylamino)-3,5-difluoro-phe…
| 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) | 1.48 | 7.15 | -40.78 | 2 | 4 | 1 | 37 | 298.357 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.48 | 5.15 | -7.07 | 1 | 4 | 0 | 36 | 297.349 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
