| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2011 | 22 | No |
Popular Name: (3R)-N-[(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-1-propanoyl-piperidine-3-carboxamide (3R)-N-[(4-ethyl-5-sulfanyl-1,2,…
| 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) | -0.19 | 6.3 | -17.54 | 2 | 7 | 0 | 83 | 325.438 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.54 | 6.1 | -51.44 | 1 | 7 | -1 | 80 | 324.43 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![N-[(5-thioxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]nipecotamide](http://zinc12.docking.org/img/rings/305498.gif)