| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 20 | No |
Popular Name: 4-[(Z)-(2-allyloxyphenyl)methyleneamino]-3-ethyl-1H-1,2,4-triazole-5-thione 4-[(Z)-(2-allyloxyphenyl)methyle…
| 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) | 2.19 | 7.87 | -11.16 | 1 | 5 | 0 | 55 | 288.376 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.92 | 7.8 | -53.29 | 0 | 5 | -1 | 52 | 287.368 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
