In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 20 | No |
Popular Name: (2R)-2-bromo-3-methyl-1-[4-(4-pyridylmethyl)piperazin-1-yl]butan-1-one (2R)-2-bromo-3-methyl-1-[4-(4-py…
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) | 1.51 | 5.67 | -7.73 | 0 | 4 | 0 | 36 | 340.265 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.51 | 7.89 | -49.58 | 1 | 4 | 1 | 38 | 341.273 | 4 | ↓ |