| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2012 | 9 | Yes |
Popular Name: (2,2-DIMETHYL-[1,3]-DIOXOLAN-4-YL)-METHYLAMINE (2,2-DIMETHYL-[1,3]-DIOXOLAN-4-Y…
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CAS Number: 22195-47-7
| 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) | 0.70 | 0.72 | -37.63 | 2 | 3 | 1 | 35 | 132.183 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.70 | -1.18 | -2.38 | 1 | 3 | 0 | 30 | 131.175 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0084357A1; US4474777 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.