| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 13 | Yes |
Popular Name: 3-(4-ethyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride 3-(4-ethyl-4H-1,2,4-triazol-3-yl…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1249203-25-5 , 1308647-41-7
| 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) | -0.25 | 5.77 | -47.69 | 2 | 4 | 1 | 47 | 181.263 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 192 - 194 | Enamine Building Blocks |
| MP | 192...194 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.
