| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2011 | 22 | Yes |
Popular Name: (2S)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one (2S)-2-[4-(2,2-difluoroethyl)pip…
| 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) | 0.75 | 4.33 | -45.72 | 1 | 5 | 1 | 31 | 319.42 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.75 | 2.12 | -10.42 | 0 | 5 | 0 | 30 | 318.412 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.75 | 6.44 | -86.41 | 2 | 5 | 2 | 32 | 320.428 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
