| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 18 | No |
Popular Name: 4-ethyl-5-(4-isobutylpiperazin-1-yl)-1,2,4-triazole-3-thiol 4-ethyl-5-(4-isobutylpiperazin-1…
| 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) | 1.26 | 10.45 | -54.13 | 2 | 5 | 1 | 41 | 270.426 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.26 | 8.49 | -9.5 | 1 | 5 | 0 | 40 | 269.418 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
