| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 23 | Yes |
Popular Name: (1S,4S)-6-(2-methylsulfanylphenyl)-3-(2-pyridylmethyl)-3,6-diazabicyclo[2.2.1]heptan-5-one (1S,4S)-6-(2-methylsulfanylpheny…
| 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) | 1.97 | 7.25 | -11.93 | 0 | 4 | 0 | 36 | 325.437 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.97 | 7.25 | -36.87 | 1 | 4 | 1 | 38 | 326.445 | 4 | ↓ |
![3,6-diazabicyclo[2.2.1]heptan-5-one](http://zinc12.docking.org/img/rings/1276.gif)
![5-phenyl-2-(2-pyridylmethyl)-2,5-diazabicyclo[2.2.1]heptan-6-one](http://zinc12.docking.org/img/rings/386275.gif)
