| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 28th, 2005 | 13 | Yes |
Popular Name: L-Proline, 1-(2-cyanoethyl)-5-oxo- (9CI) L-Proline, 1-(2-cyanoethyl)-5-ox…
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CAS Number: 41563-94-4
| 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) | -2.70 | 1.26 | -45.88 | 0 | 5 | -1 | 84 | 181.171 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000001692A1 | IBM Patent Data |
