| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 14 | Yes |
Popular Name: 2-[2-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]ethanamine 2-[2-methyl-5-(2-thienyl)-1,2,4-…
| 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) | 0.45 | 3.42 | -57.03 | 3 | 4 | 1 | 58 | 209.298 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.45 | 3.02 | -10.98 | 2 | 4 | 0 | 57 | 208.29 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
