In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 15th, 2010 | 23 | Yes |
Popular Name: 1-[(2R,4R,5R)-5-ethylquinuclidin-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine 1-[(2R,4R,5R)-5-ethylquinuclidin…
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) | 4.29 | 10.84 | -133.36 | 3 | 2 | 2 | 21 | 328.422 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.29 | 9.59 | -34.23 | 2 | 2 | 1 | 16 | 327.414 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.29 | 8.76 | -47.27 | 2 | 2 | 1 | 20 | 327.414 | 6 | ↓ |