| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2010 | 20 | Yes |
Popular Name: 3-[(2S)-2-hydroxy-3-[[(2S)-3-methoxy-2-methyl-propyl]amino]propoxy]benzonitrile 3-[(2S)-2-hydroxy-3-[[(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) | 1.25 | 3.57 | -52.93 | 3 | 5 | 1 | 79 | 279.36 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.25 | 2.36 | -10.25 | 2 | 5 | 0 | 75 | 278.352 | 9 | ↓ |
