| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 17 | No |
Popular Name: 4-ethyl-5-[methyl(4-pyridylmethyl)amino]-1,2,4-triazole-3-thiol 4-ethyl-5-[methyl(4-pyridylmethy…
| 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) | 0.35 | 8.75 | -15.02 | 1 | 5 | 0 | 50 | 249.343 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.35 | 9.2 | -47.13 | 2 | 5 | 1 | 51 | 250.351 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
