| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 6th, 2010 | 23 | No |
Popular Name: 4-[(2S)-2-hydroxy-3-[methyl-[3-[(S)-propylsulfinyl]propyl]amino]propoxy]benzonitrile 4-[(2S)-2-hydroxy-3-[methyl-[3-[…
| 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) | 1.28 | 5.93 | -59.13 | 2 | 5 | 1 | 75 | 339.481 | 11 | ↓ |
| Hi High (pH 8-9.5) | 1.28 | 3.58 | -19.08 | 1 | 5 | 0 | 74 | 338.473 | 11 | ↓ |
