In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 23 | Yes |
Popular Name: 1-[1-[(5-bromo-2-methoxy-phenyl)methyl]-4-piperidyl]-4-methyl-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) | 2.85 | 8.95 | -86.17 | 2 | 4 | 2 | 21 | 384.362 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.85 | 6.47 | -36.54 | 1 | 4 | 1 | 20 | 383.354 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.85 | 8.75 | -103.82 | 2 | 4 | 2 | 21 | 384.362 | 4 | ↓ |