| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 16 | Yes |
Popular Name: 2-[(2R)-3-(ethylamino)-2-hydroxy-propoxy]benzonitrile 2-[(2R)-3-(ethylamino)-2-hydroxy…
| 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) | 0.87 | 3.02 | -47.73 | 3 | 4 | 1 | 70 | 221.28 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.87 | 1.58 | -11.39 | 2 | 4 | 0 | 65 | 220.272 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0322389A2; EP0322389B1; EP0322390A2; EP0322390B1; US5155133 | IBM Patent Data |
