| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 17 | Yes |
Popular Name: 2-fluoro-4-[[(2S)-2-methyl-1,4-oxazepan-4-yl]methyl]aniline 2-fluoro-4-[[(2S)-2-methyl-1,4-o…
| 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) | 1.80 | 5.08 | -39.72 | 3 | 3 | 1 | 40 | 239.314 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.80 | 3.15 | -4.73 | 2 | 3 | 0 | 38 | 238.306 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
