| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 9th, 2006 | 16 | No |
Popular Name: 5-ethyl-4-{[(1E)-1-(2-thienyl)ethylidene]amino}-4H-1,2,4-triazole-3-thiol 5-ethyl-4-{[(1E)-1-(2-thienyl)et…
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CAS Number: N/A
| 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) | 2.61 | 7.96 | -50.8 | 0 | 4 | -1 | 43 | 251.36 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.73 | 7.15 | -12.62 | 2 | 4 | 0 | 46 | 252.368 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.89 | 6.88 | -11.44 | 1 | 4 | 0 | 46 | 252.368 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.89 | 7.84 | -10.75 | 1 | 4 | 0 | 46 | 252.368 | 3 | ↓ |
