| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2005 | 28 | No |
Popular Name: 2-[2-(4-acetylpiperazin-1-yl)ethylaminomethylene]-5-(4-fluorophenyl)-cyclohexane-1,3-dione 2-[2-(4-acetylpiperazin-1-yl)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) | 0.80 | -1.49 | -54.29 | 1 | 6 | 1 | 71 | 388.463 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.80 | 0.61 | -130.51 | 2 | 6 | 2 | 72 | 389.471 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
