In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 14th, 2008 | 21 | No |
Popular Name: 2-[2-[3-[2-(2-pyridyl)ethylsulfanyl]propylsulfanyl]ethyl]pyridine 2-[2-[3-[2-(2-pyridyl)ethylsulfa…
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) | 2.90 | 11.22 | -7.64 | 0 | 2 | 0 | 26 | 318.511 | 10 | ↓ |
Lo Low (pH 4.5-6) | 2.90 | 11.5 | -35.17 | 1 | 2 | 1 | 27 | 319.519 | 10 | ↓ |
Lo Low (pH 4.5-6) | 2.90 | 11.77 | -72.16 | 2 | 2 | 2 | 28 | 320.527 | 10 | ↓ |