| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 20 | Yes |
Popular Name: (2S,3S)-2-(benzothiophen-3-yl)-1-(2-methoxyethyl)piperidin-3-amine (2S,3S)-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) | 2.07 | 5.27 | -36.56 | 3 | 3 | 1 | 40 | 291.44 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.07 | 4.59 | -3.54 | 2 | 3 | 0 | 38 | 290.432 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.07 | 6.97 | -111.93 | 4 | 3 | 2 | 41 | 292.448 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.07 | 6.6 | -30.21 | 3 | 3 | 1 | 40 | 291.44 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
