In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2008 | 18 | Yes |
Popular Name: 1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-4-methyl-piperazine 1-[(4-methoxy-2,3-dimethyl-pheny…
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 | 6.96 | -37.04 | 1 | 3 | 1 | 17 | 249.378 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.44 | 6.58 | -36.08 | 1 | 3 | 1 | 17 | 249.378 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.44 | 4.49 | -3.93 | 0 | 3 | 0 | 16 | 248.37 | 3 | ↓ |