| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2011 | 18 | Yes |
Popular Name: (4R)-4-[(2S)-2-[2-(methylamino)ethyl]-1-piperidyl]azepan-2-one (4R)-4-[(2S)-2-[2-(methylamino)e…
| 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) | 2.28 | 4.41 | -105.24 | 4 | 4 | 2 | 50 | 255.406 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.28 | 2.35 | -43.83 | 3 | 4 | 1 | 49 | 254.398 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
