| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 26 | Yes |
Popular Name: 5-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]sulfonylpentanenitrile 5-[4-[2-[benzyl(methyl)amino]eth…
| 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) | 1.27 | 7.41 | -52.3 | 1 | 6 | 1 | 69 | 379.55 | 10 | ↓ |
| Hi High (pH 8-9.5) | 1.27 | 5.09 | -16 | 0 | 6 | 0 | 68 | 378.542 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
