In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 22nd, 2008 | 16 | Yes |
Popular Name: (2S,6R)-1-[(2-chlorophenyl)methyl]-2,6-dimethyl-piperazine (2S,6R)-1-[(2-chlorophenyl)methy…
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) | 2.33 | 4.16 | -35.49 | 2 | 2 | 1 | 20 | 239.77 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.33 | 4.45 | -2.44 | 1 | 2 | 0 | 15 | 238.762 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.33 | 6.29 | -105.01 | 3 | 2 | 2 | 21 | 240.778 | 2 | ↓ |