In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 5th, 2008 | 16 | Yes |
Popular Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-4-methyl-piperazine 1-[(2-chloro-6-fluoro-phenyl)met…
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) | 2.38 | 6.04 | -32.78 | 1 | 2 | 1 | 8 | 243.733 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.38 | 3.67 | -3.6 | 0 | 2 | 0 | 6 | 242.725 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.38 | 5.93 | -27.94 | 1 | 2 | 1 | 8 | 243.733 | 2 | ↓ |