| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 22 | No |
Popular Name: [4-[(Z)-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenyl] [4-[(Z)-(3-ethyl-5-thioxo-1H-1,2…
| 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) | 0.68 | 8.04 | -20.03 | 1 | 7 | 0 | 82 | 320.374 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.41 | 7.92 | -59.68 | 0 | 7 | -1 | 79 | 319.366 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
