| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 15 | No |
Popular Name: 5-[(3R)-3-ethyl-1-piperidyl]-4-methyl-1,2,4-triazole-3-thiol 5-[(3R)-3-ethyl-1-piperidyl]-4-m…
| 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) | 1.52 | 8.85 | -10.18 | 1 | 4 | 0 | 37 | 226.349 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.25 | 8.97 | -44.45 | 0 | 4 | -1 | 34 | 225.341 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
