| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 16 | No |
Popular Name: 5-(4-isobutylpiperazin-1-yl)-1,3,4-thiadiazole-2-thiol 5-(4-isobutylpiperazin-1-yl)-1,3…
| 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) | 2.29 | 6.96 | -64.75 | 1 | 4 | 0 | 33 | 258.416 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.29 | 5.02 | -40.74 | 0 | 4 | -1 | 32 | 257.408 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
