In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 20th, 2010 | 18 | Yes |
Popular Name: 1-[(5-chloro-2-methoxy-phenyl)methyl]-4-ethyl-piperazine 1-[(5-chloro-2-methoxy-phenyl)me…
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) | 2.67 | 6.55 | -32.79 | 1 | 3 | 1 | 17 | 269.796 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.67 | 6.56 | -32.47 | 1 | 3 | 1 | 17 | 269.796 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.67 | 4.28 | -3.39 | 0 | 3 | 0 | 16 | 268.788 | 4 | ↓ |