| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 24 | No |
Popular Name: 5-(3-pyridyl)-4-[(E)-[2-(trifluoromethyl)benzylidene]amino]-1,2,4-triazole-3-thiolate 5-(3-pyridyl)-4-[(E)-[2-(trifluo…
| 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) | 3.50 | 9.84 | -56.36 | 0 | 5 | -1 | 56 | 348.333 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.77 | 10 | -19.32 | 1 | 5 | 0 | 59 | 349.341 | 4 | ↓ |
