| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2011 | 19 | Yes |
Popular Name: (1S)-1-(3-chloro-4-fluoro-phenyl)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]ethanamine (1S)-1-(3-chloro-4-fluoro-phenyl…
| 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) | 2.69 | 5 | -45.86 | 2 | 3 | 1 | 29 | 287.786 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.69 | 3.9 | -3.64 | 1 | 3 | 0 | 24 | 286.778 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.69 | 7.42 | -111.81 | 3 | 3 | 2 | 30 | 288.794 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.69 | 6.32 | -38.73 | 2 | 3 | 1 | 26 | 287.786 | 4 | ↓ |
