| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 20 | No |
Popular Name: 4-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-(3-pyridyl)-1,2,4-triazole-3-thiol 4-[2-[2-methoxyethyl(methyl)amin…
| 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) | 1.23 | 6.87 | -53.39 | 1 | 6 | 0 | 57 | 293.396 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.50 | 6.79 | -46.51 | 2 | 6 | 1 | 60 | 294.404 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.23 | 4.51 | -45.08 | 0 | 6 | -1 | 56 | 292.388 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
