| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 3rd, 2010 | 23 | No |
Popular Name: 3-[(5-tert-butyl-2-thioxo-1,3,4-oxadiazol-3-yl)methyl-(3-pyridylmethyl)amino]propanenitrile 3-[(5-tert-butyl-2-thioxo-1,3,4-…
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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) | 1.33 | 5.19 | -16.58 | 0 | 6 | 0 | 71 | 331.445 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.33 | 5.66 | -41.8 | 1 | 6 | 1 | 72 | 332.453 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[(3-pyridylmethylamino)methyl]-1,3,4-oxadiazole-2-thione](http://zinc12.docking.org/img/rings/123498.gif)