| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 20 | No |
Popular Name: 4-[4-[isopropyl(methyl)amino]butyl]-5-(2-thienyl)-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) | 3.32 | 10.91 | -61.16 | 1 | 4 | 0 | 35 | 310.492 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.59 | 10.76 | -42.85 | 2 | 4 | 1 | 38 | 311.5 | 7 | ↓ |
