| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 18 | No |
Popular Name: 5-cyclopropyl-4-[4-[isopropyl(methyl)amino]butyl]-1,2,4-triazole-3-thiol 5-cyclopropyl-4-[4-[isopropyl(me…
| 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) | 1.14 | 10.34 | -45.04 | 2 | 4 | 1 | 38 | 269.438 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.87 | 10.47 | -63.13 | 1 | 4 | 0 | 35 | 268.43 | 7 | ↓ |
