| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 21 | No |
Popular Name: 4-[4-[isopropyl(methyl)amino]butyl]-5-(2-pyridyl)-1,2,4-triazole-3-thiol 4-[4-[isopropyl(methyl)amino]but…
| 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) | 2.39 | 10.57 | -62.3 | 1 | 5 | 0 | 48 | 305.451 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.66 | 10.53 | -42.2 | 2 | 5 | 1 | 51 | 306.459 | 7 | ↓ |
