| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 19 | Yes |
Popular Name: 4-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperazin-2-one 4-[4-(aminomethyl)-3-(trifluorom…
| 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) | 1.52 | 1.91 | -56.58 | 4 | 4 | 1 | 60 | 274.266 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.52 | 1.65 | -11.36 | 3 | 4 | 0 | 58 | 273.258 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
