| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 16 | Yes |
Popular Name: (3R)-3-[(2R,6R)-2,6-dimethylpiperazin-1-yl]azepan-2-one (3R)-3-[(2R,6R)-2,6-dimethylpipe…
| 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) | 0.30 | 3.12 | -49.95 | 3 | 4 | 1 | 49 | 226.344 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.30 | 1.95 | -6.65 | 2 | 4 | 0 | 44 | 225.336 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
