| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 22 | Yes |
Popular Name: [(2R)-2,3-dihydrobenzothiophen-2-yl]-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone [(2R)-2,3-dihydrobenzothiophen-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) | 1.83 | 4.89 | -9.72 | 1 | 4 | 0 | 44 | 320.458 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.83 | 7.13 | -45.75 | 2 | 4 | 1 | 45 | 321.466 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
