| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2010 | 20 | No |
Popular Name: 2-[(4-isobutylpiperazin-1-yl)methyl]-5-propyl-4H-1,2,4-triazole-3-thione 2-[(4-isobutylpiperazin-1-yl)met…
| 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) | 1.64 | 8.68 | -39.45 | 2 | 5 | 1 | 41 | 298.48 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.64 | 6.72 | -10.21 | 1 | 5 | 0 | 40 | 297.472 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.64 | 8.97 | -37.44 | 2 | 5 | 1 | 41 | 298.48 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
