| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2010 | 18 | Yes |
Popular Name: 4-[(1S)-1-hydroxy-2-[[(2S)-3-methoxy-2-methyl-propyl]amino]ethyl]benzonitrile 4-[(1S)-1-hydroxy-2-[[(2S)-3-met…
| 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) | 1.05 | 3.84 | -52.98 | 3 | 4 | 1 | 70 | 249.334 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.05 | 2.59 | -7.88 | 2 | 4 | 0 | 65 | 248.326 | 7 | ↓ |
