| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2011 | 18 | Yes |
Popular Name: (R)-[(2R)-azepan-2-yl]-(1,3-benzodioxol-5-yl)methanol (R)-[(2R)-azepan-2-yl]-(1,3-benz…
| 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) | 2.20 | 3.42 | -43.01 | 3 | 4 | 1 | 55 | 250.318 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.20 | 2.58 | -5.91 | 2 | 4 | 0 | 51 | 249.31 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
