| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2008 | 20 | Yes |
Popular Name: (3S,4aS,8aS)-2-(tert-Butoxycarbonyl)decahydroisoquinoline-3-carboxylic acid (3S,4aS,8aS)-2-(tert-Butoxycarbo…
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CAS Numbers: 115238-59-0 , [115238-59-0]
| 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) | 1.44 | 7.94 | -63.92 | 0 | 5 | -1 | 70 | 282.36 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.56 | 7.76 | -23.17 | 1 | 11 | 0 | 122 | 468.543 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| PUBCHEM_PATENT_ID | WO1999064002A1 | IBM Patent Data |
