| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2006 | 28 | Yes |
Popular Name: 4-[2-[[4-(3,4-dimethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine 4-[2-[[4-(3,4-dimethylphenyl)-5-…
| 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) | 4.03 | 12.86 | -12.65 | 0 | 5 | 0 | 57 | 387.512 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.03 | 13.32 | -40.48 | 1 | 5 | 1 | 58 | 388.52 | 6 | ↓ |
