| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 4th, 2011 | 20 | No |
Popular Name: 4-ethyl-2-[[methyl(propyl)amino]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione 4-ethyl-2-[[methyl(propyl)amino]…
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| 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) | 1.61 | 10.56 | -38.69 | 1 | 5 | 1 | 40 | 292.432 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.61 | 8.08 | -11.06 | 0 | 5 | 0 | 39 | 291.424 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
