| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2009 | 20 | Yes |
Popular Name: 1-[4-(3-amino-4-pyridyl)piperazin-1-yl]-3,3,3-trifluoro-propan-1-one 1-[4-(3-amino-4-pyridyl)piperazi…
| 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) | 0.79 | 4.31 | -42.61 | 3 | 5 | 1 | 64 | 289.281 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.79 | 3.86 | -12.42 | 2 | 5 | 0 | 62 | 288.273 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
