In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 14th, 2010 | 21 | Yes |
Popular Name: 1-benzyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide 1-benzyl-N-(2,2,2-trifluoroethyl…
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) | 2.55 | 7.72 | -45 | 2 | 3 | 1 | 34 | 301.332 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.73 | 2.99 | -5.81 | 1 | 3 | 0 | 36 | 300.324 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.55 | 5.49 | -7.31 | 1 | 3 | 0 | 32 | 300.324 | 5 | ↓ |