| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2009 | 22 | Yes |
Popular Name: 4-[(3S)-3-[[(2R)-2-hydroxy-2-phenyl-ethyl]amino]pentyl]phenol 4-[(3S)-3-[[(2R)-2-hydroxy-2-phe…
| 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) | 3.62 | 5.88 | -47.46 | 4 | 3 | 1 | 57 | 300.422 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.62 | 4.68 | -5.92 | 3 | 3 | 0 | 52 | 299.414 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4391826; US4845127 | IBM Patent Data |
