| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 2nd, 2011 | 22 | Yes |
Popular Name: 2-(4-methylpiperazin-1-yl)-1-[4-(methylsulfamoylamino)phenyl]ethanone 2-(4-methylpiperazin-1-yl)-1-[4-…
| 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) | 0.37 | 1.5 | -45.81 | 3 | 7 | 1 | 83 | 327.43 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.37 | -1.05 | -43.57 | 1 | 7 | -1 | 84 | 325.414 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.37 | -0.88 | -14.59 | 2 | 7 | 0 | 82 | 326.422 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
