| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2011 | 19 | Yes |
Popular Name: (2S)-N-(4,5,6,7-tetrahydrobenzothiophen-3-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine (2S)-N-(4,5,6,7-tetrahydrobenzot…
| 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) | 1.74 | 10.13 | -39.94 | 2 | 4 | 1 | 47 | 277.417 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | 8.91 | -8.19 | 1 | 4 | 0 | 43 | 276.409 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![4,5,6,7-tetrahydrobenzothiophen-3-ylmethyl-[2-(1,2,4-triazol-1-yl)ethyl]amine](http://zinc12.docking.org/img/rings/530456.gif)