| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2010 | 14 | No |
Popular Name: (S)-2-Amino-3-(4-nitrophenyl)propan-1-ol (S)-2-Amino-3-(4-nitrophenyl)pro…
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CAS Number: 89288-22-2
| 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) | 0.31 | 1.45 | -53.56 | 4 | 5 | 1 | 94 | 197.214 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.31 | 1.07 | -9.64 | 3 | 5 | 0 | 92 | 196.206 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0636623A1; US5399574; US5466699; US5863935; WO2000018770A1 | IBM Patent Data |
