| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 18 | No |
Popular Name: 4-isopropyl-5-(4-isopropylpiperazin-1-yl)-1,2,4-triazole-3-thiol 4-isopropyl-5-(4-isopropylpipera…
| 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) | 1.17 | 9.68 | -50.32 | 2 | 5 | 1 | 41 | 270.426 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.17 | 7.53 | -8.6 | 1 | 5 | 0 | 40 | 269.418 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
