| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 19 | No |
Popular Name: 1-[2-[(1R)-1-(methylamino)ethyl]phenyl]azepane-2,7-dione 1-[2-[(1R)-1-(methylamino)ethyl]…
| 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) | 0.83 | 6.9 | -43.35 | 2 | 4 | 1 | 54 | 261.345 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.83 | 5.83 | -11.82 | 1 | 4 | 0 | 49 | 260.337 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
