| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2005 | 18 | Yes |
Popular Name: 3-[(5-chloro-2-methoxybenzyl)thio]-5-ethyl-4H-1,2,4-triazole 3-[(5-chloro-2-methoxybenzyl)thi…
| 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) | 3.23 | 6.97 | -6.91 | 1 | 4 | 0 | 51 | 283.784 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.04 | 5.43 | -10.72 | 0 | 6 | 0 | 52 | 342.443 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.04 | 7.62 | -41.35 | 1 | 6 | 1 | 54 | 343.451 | 7 | ↓ |
