| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2010 | 18 | No |
Popular Name: 2-[[2-methoxyethyl(methyl)amino]methyl]-5-(2-thienyl)-4H-1,2,4-triazole-3-thione 2-[[2-methoxyethyl(methyl)amino]…
| 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) | 1.35 | 7.44 | -35.03 | 2 | 5 | 1 | 47 | 285.418 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.07 | 6.63 | -33 | 1 | 5 | 0 | 44 | 284.41 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.35 | 5.1 | -10.75 | 1 | 5 | 0 | 46 | 284.41 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.07 | 4.24 | -45.13 | 0 | 5 | -1 | 43 | 283.402 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
