In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2010 | 17 | Yes |
Popular Name: 2-[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]-N-(3-pyridylmethyl)ethanamine 2-[(1S,4R)-5-azabicyclo[2.2.1]he…
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) | 1.18 | 5.39 | -35.69 | 2 | 3 | 1 | 29 | 232.351 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.18 | 6.73 | -121.22 | 3 | 3 | 2 | 34 | 233.359 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.