| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 20 | Yes |
Popular Name: (2R)-2-(7-chloro-1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperidyl)ethanamine (2R)-2-(7-chloro-1,3-benzodioxol…
| 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) | 2.37 | 6.01 | -131 | 4 | 4 | 2 | 51 | 298.814 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.37 | 6.28 | -36.48 | 3 | 4 | 1 | 49 | 297.806 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.37 | 4.12 | -50.19 | 3 | 4 | 1 | 49 | 297.806 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
