| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 19 | No |
Popular Name: (3S)-N-[[4-(aminomethyl)-2-fluoro-phenyl]methyl]-N-methyl-1,1-dioxo-thiolan-3-amine (3S)-N-[[4-(aminomethyl)-2-fluor…
| 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) | 0.54 | 3.01 | -115.21 | 4 | 4 | 2 | 66 | 288.388 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.54 | 0.34 | -12.93 | 2 | 4 | 0 | 63 | 286.372 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.54 | 2.6 | -55.02 | 3 | 4 | 1 | 65 | 287.38 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.54 | 0.75 | -57.49 | 3 | 4 | 1 | 65 | 287.38 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
