| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 9 | Yes |
Popular Name: 1-(azetidin-3-yl)-1H-1,2,4-triazole dihydrochloride 1-(azetidin-3-yl)-1H-1,2,4-triaz…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1251925-09-3 , 783275-15-0
| 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) | -0.91 | 2.66 | -49.7 | 2 | 4 | 1 | 47 | 125.155 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.91 | 1.14 | -7.29 | 1 | 4 | 0 | 43 | 124.147 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 159 - 161 | Enamine Building Blocks |
| MP | 159...161 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.
