In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 13th, 2010 | 15 | Yes |
Popular Name: (2S)-1-(5-chloro-2-fluoro-phenyl)-2-methyl-piperazine (2S)-1-(5-chloro-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) | 2.44 | 5.82 | -39.32 | 2 | 2 | 1 | 20 | 229.706 | 1 | ↓ |
Hi High (pH 8-9.5) | 2.44 | 4.49 | -2.62 | 1 | 2 | 0 | 15 | 228.698 | 1 | ↓ |