| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 14 | Yes |
Popular Name: 2-[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]propan-2-amine 2-[5-(2-thienyl)-1H-1,2,4-triazo…
| 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) | 1.59 | 2.57 | -37.67 | 4 | 4 | 1 | 69 | 209.298 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.59 | 2.34 | -7.96 | 3 | 4 | 0 | 68 | 208.29 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
