| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 19 | Yes |
Popular Name: (2S)-2-(azocan-1-yl)-2-(2,5-difluorophenyl)ethanamine (2S)-2-(azocan-1-yl)-2-(2,5-difl…
| 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) | 2.90 | 7.64 | -114.48 | 4 | 2 | 2 | 32 | 270.367 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.90 | 7.71 | -28.22 | 3 | 2 | 1 | 30 | 269.359 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.90 | 6.29 | -46.98 | 3 | 2 | 1 | 31 | 269.359 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
