| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 22 | Yes |
Popular Name: [(2R)-2,3-dihydrobenzothiophen-2-yl]-[4-(2-hydroxy-2-methyl-propyl)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) | 1.77 | 5.61 | -9.65 | 1 | 4 | 0 | 44 | 320.458 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.77 | 7.38 | -45.49 | 2 | 4 | 1 | 45 | 321.466 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
