| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 31st, 2006 | 22 | Yes |
Popular Name: 3-[2-(3-methylphenoxy)ethylsulfanyl]-5-phenyl-1H-1,2,4-triazole 3-[2-(3-methylphenoxy)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) | 4.53 | 9.79 | -11.48 | 1 | 4 | 0 | 51 | 311.41 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.53 | 9.62 | -45.52 | 0 | 4 | -1 | 49 | 310.402 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.01 | 4.2 | -13.79 | 2 | 6 | 0 | 78 | 365.499 | 10 | ↓ |
| Mid Mid (pH 6-8) | 2.01 | 6.39 | -50.93 | 3 | 6 | 1 | 80 | 366.507 | 10 | ↓ |
