| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 20 | Yes |
Popular Name: 5-(4-tert-butylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one 5-(4-tert-butylpiperazin-1-yl)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) | 0.92 | 2.56 | -49.64 | 2 | 6 | 1 | 75 | 300.404 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.38 | -1.56 | -45.97 | 0 | 6 | -1 | 77 | 298.388 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.92 | 0.48 | -12.67 | 1 | 6 | 0 | 73 | 299.396 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
