| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2010 | 19 | No |
Popular Name: 2-[4-[(2,5-dimethyl-3-thienyl)sulfonyl]piperazin-1-yl]acetonitrile 2-[4-[(2,5-dimethyl-3-thienyl)su…
| 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) | 0.96 | 2.62 | -14.22 | 0 | 5 | 0 | 64 | 299.421 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.96 | 4.86 | -60.95 | 1 | 5 | 1 | 66 | 300.429 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
