| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2010 | 18 | No |
Popular Name: 3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-(4-ethyl-5-methyl-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) | 1.66 | 7.4 | -11.94 | 1 | 4 | 0 | 55 | 262.382 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.41 | 7.34 | -12.4 | 2 | 4 | 0 | 57 | 262.382 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![[3-(4H-1,2,4-triazol-3-yl)-5,6,7,7a-tetrahydro-4H-benzothiophen-2-ylidene]amine](http://zinc12.docking.org/img/rings/604286.gif)