| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 20 | No |
Popular Name: 3-[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydrobenzothiophen-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) | 3.03 | 7.47 | -11.51 | 2 | 4 | 0 | 65 | 302.428 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.78 | 7.58 | -8.72 | 3 | 4 | 0 | 68 | 302.428 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![[3-[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]-5,6,7,7a-tetrahydro-4H-benzothiophen-2-ylidene]amine](http://zinc12.docking.org/img/rings/145117.gif)