| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 21 | Yes |
Popular Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(4-ethyl-4-methyl-1-piperidyl)ethanamine (2S)-2-(1,3-benzodioxol-5-yl)-2-…
| 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) | 2.52 | 6.24 | -129.36 | 4 | 4 | 2 | 51 | 292.423 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.52 | 5.9 | -40.18 | 3 | 4 | 1 | 49 | 291.415 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.52 | 4.36 | -47.7 | 3 | 4 | 1 | 49 | 291.415 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
