| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 16 | No |
Popular Name: 3-[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thiophen-2-amine 3-[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) | 1.69 | 5.09 | -11.86 | 2 | 4 | 0 | 65 | 248.336 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.69 | 4.61 | -47.21 | 1 | 4 | -1 | 64 | 247.328 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.60 | 4.57 | -8.54 | 3 | 4 | 0 | 68 | 248.336 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![[4-[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]-2H-thiophen-5-ylidene]amine](http://zinc12.docking.org/img/rings/145064.gif)