| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 4th, 2011 | 22 | No |
Popular Name: (2R)-N-[(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-3-methyl-2-(1-piperidyl)butanamide (2R)-N-[(4-ethyl-5-sulfanyl-1,2,…
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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) | 0.85 | 8.22 | -44.49 | 3 | 6 | 1 | 67 | 326.49 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.58 | 6.89 | -42.93 | 1 | 6 | -1 | 63 | 324.474 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.58 | 8.54 | -61.32 | 2 | 6 | 0 | 64 | 325.482 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-piperidino-N-[(5-thioxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide](http://zinc12.docking.org/img/rings/462523.gif)