In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2008 | 30 | Yes |
Popular Name: 1-[(2R,4S,5R)-5-ethylquinuclidin-2-yl]-N,N-bis[(4-methoxyphenyl)methyl]methanamine 1-[(2R,4S,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) | 5.15 | 13.79 | -125.06 | 2 | 4 | 2 | 27 | 410.602 | 9 | ↓ |
Hi High (pH 8-9.5) | 5.15 | 11.88 | -37.49 | 1 | 4 | 1 | 26 | 409.594 | 9 | ↓ |
Mid Mid (pH 6-8) | 5.15 | 11.81 | -40.77 | 1 | 4 | 1 | 26 | 409.594 | 9 | ↓ |