In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 16 | Yes |
Popular Name: [2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]-6-methyl-3-pyridyl]methanamine [2-[(1S,4R)-5-azabicyclo[2.2.1]h…
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) | 1.22 | 6.2 | -98.72 | 4 | 3 | 2 | 45 | 219.332 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.22 | 5.79 | -23.35 | 3 | 3 | 1 | 43 | 218.324 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.22 | 5.76 | -49.39 | 3 | 3 | 1 | 44 | 218.324 | 2 | ↓ |