| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 14th, 2011 | 19 | Yes |
Popular Name: 4-[2-[[(2S)-2-hydroxy-2-phenyl-ethyl]amino]ethyl]phenol 4-[2-[[(2S)-2-hydroxy-2-phenyl-e…
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) | 1.88 | 3.84 | -48.87 | 4 | 3 | 1 | 57 | 258.341 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.88 | 2.51 | -6.06 | 3 | 3 | 0 | 52 | 257.333 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1993010074A1 | IBM Patent Data |
