| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2010 | 19 | Yes |
Popular Name: (2S)-N-[(2-bromo-4-fluoro-phenyl)methyl]-2-(1-piperidyl)propan-1-amine (2S)-N-[(2-bromo-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) | 3.66 | 8.19 | -33.67 | 2 | 2 | 1 | 16 | 330.265 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.66 | 6.39 | -2.14 | 1 | 2 | 0 | 15 | 329.257 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.66 | 7.73 | -39.19 | 2 | 2 | 1 | 20 | 330.265 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
