| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2011 | 17 | Yes |
Popular Name: (2S)-2-[[4-(trifluoromethyl)phenyl]methyl]piperazine (2S)-2-[[4-(trifluoromethyl)phen…
Find On: PubMed — Wikipedia — Google
CAS Number: 907971-33-9
| 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) | 2.08 | 4.44 | -44.38 | 3 | 2 | 1 | 29 | 245.268 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.08 | 4.2 | -41.56 | 3 | 2 | 1 | 29 | 245.268 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.08 | 3.09 | -3.42 | 2 | 2 | 0 | 24 | 244.26 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.08 | 5.56 | -127.47 | 4 | 2 | 2 | 33 | 246.276 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
