| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 11 | Yes |
Popular Name: 1-(azetidin-3-yl)-3,5-dimethyl-1H-1,2,4-triazole dihydrochloride 1-(azetidin-3-yl)-3,5-dimethyl-1…
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CAS Number: 1803589-40-3
| 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) | -0.73 | 2.82 | -46.3 | 2 | 4 | 1 | 47 | 153.209 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.73 | 1.13 | -7.22 | 1 | 4 | 0 | 43 | 152.201 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.
