| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | Yes |
Popular Name: (2S,3R)-1-(2-methoxyethyl)-2-(3-thienyl)piperidin-3-amine (2S,3R)-1-(2-methoxyethyl)-2-(3-…
| 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) | 0.76 | 2.11 | -40.29 | 3 | 3 | 1 | 40 | 241.38 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.76 | 1.82 | -2.98 | 2 | 3 | 0 | 38 | 240.372 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.76 | 4.2 | -106.01 | 4 | 3 | 2 | 41 | 242.388 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.76 | 3.89 | -30.88 | 3 | 3 | 1 | 40 | 241.38 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
