In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 13th, 2011 | 21 | Yes |
Popular Name: 4-bromo-2-[4-(2-dimethylaminoethyl)piperazin-1-yl]benzoic 4-bromo-2-[4-(2-dimethylaminoeth…
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) | 2.79 | 8.62 | -67.11 | 1 | 5 | 0 | 51 | 356.264 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.79 | 6.14 | -46.25 | 0 | 5 | -1 | 50 | 355.256 | 5 | ↓ |