| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 17 | Yes |
Popular Name: (4R)-4-piperazin-1-yl-6,7-dihydro-5H-benzothiophene-4-carbonitrile (4R)-4-piperazin-1-yl-6,7-dihydr…
| 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) | 1.49 | 4.2 | -47.3 | 2 | 3 | 1 | 44 | 248.375 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.49 | 2.84 | -5.87 | 1 | 3 | 0 | 39 | 247.367 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
