| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 19 | Yes |
Popular Name: 1-[3-(azepan-1-ylmethyl)-5-chloro-2-hydroxy-phenyl]ethanone 1-[3-(azepan-1-ylmethyl)-5-chlor…
| 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) | 3.37 | 8.48 | -38.17 | 2 | 3 | 1 | 42 | 282.791 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.37 | 9.46 | -31.66 | 1 | 3 | 0 | 45 | 281.783 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
