| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2011 | 18 | Yes |
Popular Name: N-[(2-bromo-5-fluoro-phenyl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine N-[(2-bromo-5-fluoro-phenyl)meth…
| 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) | 2.26 | 4.44 | -38.5 | 2 | 3 | 1 | 29 | 318.21 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.26 | 2.98 | -3.99 | 1 | 3 | 0 | 24 | 317.202 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.26 | 5.4 | -37.2 | 2 | 3 | 1 | 26 | 318.21 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.26 | 6.86 | -101.18 | 3 | 3 | 2 | 30 | 319.218 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
