In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 6th, 2010 | 20 | Yes |
Popular Name: (1R,2S)-1-(2-chloro-4-fluoro-phenoxy)-1-(4-fluorophenyl)propan-2-amine (1R,2S)-1-(2-chloro-4-fluoro-phe…
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) | 3.72 | 6.96 | -55.61 | 3 | 2 | 1 | 37 | 298.74 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.72 | 6.67 | -6.01 | 2 | 2 | 0 | 35 | 297.732 | 4 | ↓ |