| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 6th, 2009 | 22 | No |
Popular Name: (2R)-2-[[(2S)-3-oxoquinuclidin-2-yl]methyl]-1-phenyl-butane-1,3-dione (2R)-2-[[(2S)-3-oxoquinuclidin-2…
| 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) | 1.47 | 9.02 | -62.74 | 1 | 4 | 1 | 56 | 300.378 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.47 | 6.94 | -17.75 | 0 | 4 | 0 | 54 | 299.37 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.05 | 9.04 | -51.97 | 1 | 4 | 0 | 62 | 299.37 | 4 | ↓ |
