| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 17 | Yes |
Popular Name: (2S)-2-[(2-hydroxy-1,1-dimethyl-ethyl)amino]-2-phenyl-propanoic (2S)-2-[(2-hydroxy-1,1-dimethyl-…
None
| 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) | 1.55 | 3.66 | -34.44 | 3 | 4 | 0 | 77 | 237.299 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.55 | 2.63 | -51.44 | 2 | 4 | -1 | 72 | 236.291 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4528370; US4914232; US5089614 | IBM Patent Data |
