| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2010 | 19 | No |
Popular Name: 3-(4-isopropyl-5-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-(4-isopropyl-5-methyl-1,2,4-tr…
| 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) | 2.03 | 7.21 | -13.71 | 1 | 4 | 0 | 55 | 276.409 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.77 | 7.57 | -12.12 | 2 | 4 | 0 | 57 | 276.409 | 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)