| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2010 | 20 | No |
Popular Name: 3-(2-cyclopentylethyl)-4-[[isobutyl(methyl)amino]methyl]-1H-1,2,4-triazole-5-thione 3-(2-cyclopentylethyl)-4-[[isobu…
| 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) | 2.92 | 9.96 | -9.9 | 1 | 4 | 0 | 37 | 296.484 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.65 | 9.85 | -44.49 | 0 | 4 | -1 | 34 | 295.476 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.92 | 11.62 | -48.96 | 2 | 4 | 1 | 38 | 297.492 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
