| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2011 | 17 | No |
Popular Name: 4-amino-5-[(2,5-dimethylphenoxy)methyl]-1,2,4-triazole-3-thiol 4-amino-5-[(2,5-dimethylphenoxy)…
None
| 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) | 2.14 | 6.12 | -42.08 | 2 | 5 | -1 | 66 | 249.319 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.41 | 6.2 | -11.72 | 3 | 5 | 0 | 69 | 250.327 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
