In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 30th, 2011 | 18 | Yes |
Popular Name: (1R)-2-(5-bromo-2-fluoro-phenyl)-1-(2-chlorophenyl)ethanamine (1R)-2-(5-bromo-2-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) | 2.76 | 8.12 | -45.43 | 3 | 1 | 1 | 28 | 329.62 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.76 | 7.81 | -4.23 | 2 | 1 | 0 | 26 | 328.612 | 3 | ↓ |