In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 21 | No |
Popular Name: 4-(2-phenoxyethyl)-5-(3-pyridyl)-1,2,4-triazole-3-thiol 4-(2-phenoxyethyl)-5-(3-pyridyl)…
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 | 8.38 | -45.71 | 0 | 5 | -1 | 53 | 297.363 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.17 | 8.42 | -12.55 | 1 | 5 | 0 | 56 | 298.371 | 5 | ↓ |