| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 2nd, 2011 | 20 | No |
Popular Name: 5-butylsulfanyl-N-[(E)-(1-ethylpyrazol-4-yl)methyleneamino]-4H-1,2,4-triazol-3-amine 5-butylsulfanyl-N-[(E)-(1-ethylp…
| 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) | 2.11 | 8.87 | -18.08 | 2 | 7 | 0 | 84 | 293.4 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.11 | 8.37 | -52.98 | 1 | 7 | -1 | 82 | 292.392 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
