In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2008 | 20 | Yes |
Popular Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-sec-butyl-piperazine 1-[(5-bromo-2-methoxy-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) | 3.64 | 7.89 | -32.63 | 1 | 3 | 1 | 17 | 342.301 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.64 | 7.97 | -33.22 | 1 | 3 | 1 | 17 | 342.301 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.64 | 5.66 | -3.28 | 0 | 3 | 0 | 16 | 341.293 | 5 | ↓ |