In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 11th, 2010 | 16 | Yes |
Popular Name: N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-ethyl-N',N'-dimethyl-ethane-1,2-diamine N-[(1R,5S)-8-azabicyclo[3.2.1]oc…
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) | 1.30 | 4.52 | -89.63 | 3 | 3 | 2 | 24 | 227.396 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.30 | 2.05 | -35.16 | 2 | 3 | 1 | 23 | 226.388 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.30 | 6.57 | -194.23 | 4 | 3 | 3 | 25 | 228.404 | 5 | ↓ |