| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 8th, 2009 | 20 | No |
Popular Name: 2-[(butyl-ethyl-amino)methyl]-5-phenyl-4H-1,2,4-triazole-3-thione 2-[(butyl-ethyl-amino)methyl]-5-…
| 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) | 3.39 | 11.56 | -35.29 | 2 | 4 | 1 | 38 | 291.444 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.12 | 11.13 | -32.09 | 1 | 4 | 0 | 35 | 290.436 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.39 | 9.21 | -10.53 | 1 | 4 | 0 | 37 | 290.436 | 7 | ↓ |
