| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 22 | No |
Popular Name: 3-ethyl-4-[(Z)-(2-isopropoxy-3-methoxy-phenyl)methyleneamino]-1H-1,2,4-triazole-5-thione 3-ethyl-4-[(Z)-(2-isopropoxy-3-m…
| 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) | 2.10 | 7.61 | -10.24 | 1 | 6 | 0 | 64 | 320.418 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.83 | 7.88 | -51.05 | 0 | 6 | -1 | 62 | 319.41 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
