In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2005 | 23 | Yes |
Popular Name: 2-allylsulfanyl-6-(p-tolyl)-4-(trifluoromethyl)pyridine-3-carbonitrile 2-allylsulfanyl-6-(p-tolyl)-4-(t…
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) | 5.15 | 4.72 | -6.13 | 0 | 2 | 0 | 36 | 334.366 | 5 | ↓ |
Lo Low (pH 4.5-6) | 5.15 | 4.91 | -34.71 | 1 | 2 | 1 | 37 | 335.374 | 5 | ↓ |