In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2008 | 34 | Yes |
Popular Name: 1-[(2R,4S,5R)-5-ethylquinuclidin-2-yl]-N,N-bis[[4-(trifluoromethyl)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) | 6.83 | 17.04 | -137.78 | 2 | 2 | 2 | 9 | 486.544 | 9 | ↓ |
Mid Mid (pH 6-8) | 6.83 | 15.25 | -39.21 | 1 | 2 | 1 | 8 | 485.536 | 9 | ↓ |
Mid Mid (pH 6-8) | 6.83 | 15.34 | -53.4 | 1 | 2 | 1 | 8 | 485.536 | 9 | ↓ |