| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2010 | 23 | Yes |
Popular Name: (1R,4R)-6-(2-methylsulfanylphenyl)-3-(2-pyridylmethyl)-3,6-diazabicyclo[2.2.1]heptan-5-one (1R,4R)-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 | 9.63 | -40.14 | 1 | 4 | 1 | 38 | 326.445 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.97 | 7.3 | -12.93 | 0 | 4 | 0 | 36 | 325.437 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.97 | 7.93 | -38.17 | 1 | 4 | 1 | 38 | 326.445 | 4 | ↓ |
