| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 7th, 2009 | 18 | Yes |
Popular Name: 2-[(2S,3R)-2-hydroxy-3-(isopropylamino)butoxy]benzonitrile 2-[(2S,3R)-2-hydroxy-3-(isopropy…
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| 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) | 1.84 | 4.42 | -49.79 | 3 | 4 | 1 | 70 | 249.334 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.84 | 3.56 | -8.98 | 2 | 4 | 0 | 65 | 248.326 | 6 | ↓ |
