In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2009 | 18 | Yes |
Popular Name: N-[(4-bromo-2-fluoro-phenyl)methyl]-2-morpholino-ethanamine N-[(4-bromo-2-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) | 2.27 | 4.41 | -45.05 | 2 | 3 | 1 | 29 | 318.21 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.27 | 3.02 | -4.72 | 1 | 3 | 0 | 24 | 317.202 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.27 | 5.28 | -38.19 | 2 | 3 | 1 | 26 | 318.21 | 5 | ↓ |