| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 19 | No |
Popular Name: 4-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-(2-thienyl)-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) | 2.09 | 7.99 | -48.18 | 1 | 5 | 0 | 44 | 298.437 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.36 | 7.86 | -39.64 | 2 | 5 | 1 | 47 | 299.445 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.36 | 5.48 | -9.34 | 1 | 5 | 0 | 46 | 298.437 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.09 | 5.62 | -46.02 | 0 | 5 | -1 | 43 | 297.429 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
