| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 21 | Yes |
Popular Name: (2S)-1-(3-methylphenoxy)-3-(2-morpholinoethylamino)propan-2-ol (2S)-1-(3-methylphenoxy)-3-(2-mo…
| 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) | 1.08 | 1.78 | -48.1 | 3 | 5 | 1 | 59 | 295.403 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.08 | 0.38 | -7.39 | 2 | 5 | 0 | 54 | 294.395 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.08 | 2.63 | -40.42 | 3 | 5 | 1 | 55 | 295.403 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0228192A2 | IBM Patent Data |
