| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 12th, 2011 | 13 | Yes |
Popular Name: D-Aspartic acid ¦Á-tert.butyl esterhydrochloride D-Aspartic acid ¦Á-tert.butyl es…
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CAS Number: 148823-36-3
| 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) | -0.26 | 2.79 | -39.42 | 2 | 5 | -1 | 92 | 188.203 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.26 | 3.13 | -33.13 | 3 | 5 | 0 | 94 | 189.211 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0301751A1; EP0301751B1; US5502035; US5614531; WO1995004541A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.