| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2009 | 15 | Yes |
Popular Name: 4-fluoro-3-[[[(1S)-2-hydroxy-1-methyl-ethyl]amino]methyl]benzonitrile 4-fluoro-3-[[[(1S)-2-hydroxy-1-m…
| 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) | 1.04 | 3.02 | -40.9 | 3 | 3 | 1 | 61 | 209.244 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.04 | 1.76 | -6.65 | 2 | 3 | 0 | 56 | 208.236 | 4 | ↓ |
