| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 19 | Yes |
Popular Name: (2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-2-(1-piperidyl)ethanamine (2S)-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) | 2.13 | 5.38 | -129.12 | 4 | 4 | 2 | 51 | 284.787 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.13 | 5.04 | -39.64 | 3 | 4 | 1 | 49 | 283.779 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.13 | 3.68 | -54.38 | 3 | 4 | 1 | 49 | 283.779 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
