| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 22nd, 2011 | 17 | No |
Popular Name: 5-allylsulfanyl-N-[(E)-2-thienylmethyleneamino]-4H-1,2,4-triazol-3-amine 5-allylsulfanyl-N-[(E)-2-thienyl…
| 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) | 2.47 | 8.24 | -14.32 | 2 | 5 | 0 | 66 | 265.367 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.47 | 7.74 | -49.02 | 1 | 5 | -1 | 64 | 264.359 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
