In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2008 | 21 | Yes |
Popular Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-(1-ethylpropyl)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) | 4.17 | 8.46 | -31.41 | 1 | 3 | 1 | 17 | 356.328 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.17 | 6.59 | -2.62 | 0 | 3 | 0 | 16 | 355.32 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.17 | 8.9 | -33.95 | 1 | 3 | 1 | 17 | 356.328 | 6 | ↓ |