| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2009 | 15 | Yes |
Popular Name: ETHYL 2-AMINO-3-(3-FLUOROPHENYL)PROPANOATE ETHYL 2-AMINO-3-(3-FLUOROPHENYL)…
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CAS Number: 104880-99-1
| 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) | 1.36 | 5.06 | -47.33 | 3 | 3 | 1 | 54 | 212.244 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.36 | 4.74 | -6.2 | 2 | 3 | 0 | 52 | 211.236 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0866705A1; WO1997014417A1 | IBM Patent Data |
