| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2010 | 21 | No |
Popular Name: 3-(5-phenyl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-(5-phenyl-1H-1,2,4-triazol-3-y…
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| 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) | 3.25 | 8.75 | -11.08 | 2 | 4 | 0 | 65 | 296.399 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.25 | 8.28 | -48.49 | 1 | 4 | -1 | 64 | 295.391 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.99 | 8.52 | -8.56 | 3 | 4 | 0 | 68 | 296.399 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![[3-(5-phenyl-1H-1,2,4-triazol-3-yl)-5,6,7,7a-tetrahydro-4H-benzothiophen-2-ylidene]amine](http://zinc12.docking.org/img/rings/604116.gif)