| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 18 | Yes |
Popular Name: (2S,3R)-2-(benzothiophen-3-yl)-1-ethyl-piperidin-3-amine (2S,3R)-2-(benzothiophen-3-yl)-1…
| 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) | 2.46 | 5.65 | -40.01 | 3 | 2 | 1 | 31 | 261.414 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.46 | 5.44 | -3.52 | 2 | 2 | 0 | 29 | 260.406 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.46 | 7.33 | -34.59 | 3 | 2 | 1 | 30 | 261.414 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.46 | 7.55 | -110.24 | 4 | 2 | 2 | 32 | 262.422 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
