| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 20 | Yes |
Popular Name: (2S,3S)-2-(2,3-dihydrobenzofuran-5-yl)-1-isobutyl-piperidin-3-amine (2S,3S)-2-(2,3-dihydrobenzofuran…
| 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) | 2.34 | 6.42 | -39.93 | 3 | 3 | 1 | 40 | 275.416 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.34 | 7.46 | -31.03 | 3 | 3 | 1 | 40 | 275.416 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.34 | 7.82 | -115.73 | 4 | 3 | 2 | 41 | 276.424 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
