| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 5th, 2011 | 22 | No |
Popular Name: 5-cyano-N-[2-(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide 5-cyano-N-[2-(4-isopropyl-5-sulf…
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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) | -0.12 | 6.01 | -19.56 | 2 | 7 | 0 | 99 | 316.39 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.60 | 5.95 | -50.61 | 1 | 7 | -1 | 97 | 315.382 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![N-[2-(5-thioxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]picolinamide](http://zinc12.docking.org/img/rings/463383.gif)