In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 27th, 2010 | 28 | Yes |
Popular Name: 2-[4-(2-bromo-5-methoxy-benzoyl)piperazin-1-yl]-1-[(3R,5R)-3,5-dimethyl-1-piperidyl]ethanone 2-[4-(2-bromo-5-methoxy-benzoyl)…
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) | 2.57 | 7.73 | -13.89 | 0 | 6 | 0 | 53 | 452.393 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.57 | 9.87 | -47.68 | 1 | 6 | 1 | 54 | 453.401 | 4 | ↓ |