| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2011 | 21 | Yes |
Popular Name: 2-[(2R)-1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2-piperidyl]-N-methyl-ethanamine 2-[(2R)-1-[(7-chloro-1,3-benzodi…
| 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) | 3.19 | 5.63 | -47.13 | 2 | 4 | 1 | 38 | 311.833 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.19 | 7.75 | -116.57 | 3 | 4 | 2 | 40 | 312.841 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
