| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 16 | No |
Popular Name: 4-ethyl-5-(4-methyl-1,4-diazepan-1-yl)-1,2,4-triazole-3-thiol 4-ethyl-5-(4-methyl-1,4-diazepan…
| 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) | 0.41 | 9.42 | -55 | 2 | 5 | 1 | 41 | 242.372 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.41 | 7.43 | -10.39 | 1 | 5 | 0 | 40 | 241.364 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
