In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 28th, 2010 | 24 | Yes |
Popular Name: 1-[(2R,4S,5R)-5-ethylquinuclidin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine 1-[(2R,4S,5R)-5-ethylquinuclidin…
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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) | 4.37 | 9.51 | -129.34 | 3 | 3 | 2 | 30 | 344.421 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.37 | 8.26 | -33.09 | 2 | 3 | 1 | 26 | 343.413 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.37 | 7.45 | -46.22 | 2 | 3 | 1 | 29 | 343.413 | 7 | ↓ |