| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2010 | 20 | No |
Popular Name: 2-[[isopentyl(methyl)amino]methyl]-5-phenyl-4H-1,2,4-triazole-3-thione 2-[[isopentyl(methyl)amino]methy…
| 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) | 3.23 | 11.24 | -37.82 | 2 | 4 | 1 | 38 | 291.444 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.96 | 10.51 | -33.6 | 1 | 4 | 0 | 35 | 290.436 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.23 | 8.9 | -9.18 | 1 | 4 | 0 | 37 | 290.436 | 6 | ↓ |
