| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 30th, 2010 | 18 | No |
Popular Name: 4-[2-[isopropyl(methyl)amino]ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiol 4-[2-[isopropyl(methyl)amino]eth…
| 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) | 2.78 | 9.36 | -48.38 | 1 | 4 | 0 | 35 | 282.438 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.78 | 6.85 | -45.54 | 0 | 4 | -1 | 34 | 281.43 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.05 | 9.23 | -39.55 | 2 | 4 | 1 | 38 | 283.446 | 5 | ↓ |
