In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 24 | Yes |
Popular Name: 1-[1-[(5-bromo-2-methoxy-phenyl)methyl]-4-piperidyl]-4-ethyl-piperazine 1-[1-[(5-bromo-2-methoxy-phenyl)…
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) | 3.22 | 9.51 | -85.88 | 2 | 4 | 2 | 21 | 398.389 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.22 | 9.41 | -104.2 | 2 | 4 | 2 | 21 | 398.389 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.22 | 7.14 | -36.27 | 1 | 4 | 1 | 20 | 397.381 | 5 | ↓ |