| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 20 | Yes |
Popular Name: 2,2,2-trifluoro-N-[2-[4-(2-pyridyl)piperazin-1-yl]ethyl]ethanamine 2,2,2-trifluoro-N-[2-[4-(2-pyrid…
| 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) | 1.39 | 4.13 | -30.41 | 2 | 4 | 1 | 33 | 289.325 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.39 | 3.81 | -6.65 | 1 | 4 | 0 | 31 | 288.317 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.39 | 6.04 | -43.65 | 2 | 4 | 1 | 33 | 289.325 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.39 | 6.35 | -96.12 | 3 | 4 | 2 | 34 | 290.333 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.39 | 5.49 | -87.2 | 3 | 4 | 2 | 37 | 290.333 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
