In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2009 | 27 | Yes |
Popular Name: (1S,5R)-9,9-dibutyl-3-(cyclohexylmethyl)-7-isopropyl-3,7-diazabicyclo[3.3.1]nonane (1S,5R)-9,9-dibutyl-3-(cyclohexy…
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) | 7.75 | 16.52 | -105.74 | 2 | 2 | 2 | 9 | 378.689 | 9 | ↓ |
Hi High (pH 8-9.5) | 7.75 | 16.21 | -27.9 | 1 | 2 | 1 | 8 | 377.681 | 9 | ↓ |
Hi High (pH 8-9.5) | 7.75 | 16.22 | -26.33 | 1 | 2 | 1 | 8 | 377.681 | 9 | ↓ |