In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2009 | 27 | Yes |
Popular Name: 9-butyl-9-ethyl-3,7-dihexyl-3,7-diazabicyclo[3.3.1]nonane 9-butyl-9-ethyl-3,7-dihexyl-3,7-…
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) | 8.49 | 17.25 | -111.64 | 2 | 2 | 2 | 9 | 380.705 | 14 | ↓ |
Hi High (pH 8-9.5) | 8.49 | 16.79 | -28.06 | 1 | 2 | 1 | 8 | 379.697 | 14 | ↓ |