| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 16th, 2010 | 16 | Yes |
Popular Name: (2S)-2-[3-(trifluoromethyl)phenyl]piperazine (2S)-2-[3-(trifluoromethyl)pheny…
Find On: PubMed — Wikipedia — Google
CAS Number: 74418-16-9
| 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) | 1.85 | 3.52 | -43.35 | 3 | 2 | 1 | 29 | 231.241 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.85 | 2.16 | -3.22 | 2 | 2 | 0 | 24 | 230.233 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.85 | 3.48 | -42.55 | 3 | 2 | 1 | 29 | 231.241 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.85 | 4.81 | -129.45 | 4 | 2 | 2 | 33 | 232.249 | 2 | ↓ |
