| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 14 | No |
Popular Name: 1-[(2S)-2-(hydroxymethyl)-1-piperidyl]butane-1,3-dione 1-[(2S)-2-(hydroxymethyl)-1-pipe…
| 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) | -0.26 | 3.94 | -14.32 | 1 | 4 | 0 | 58 | 199.25 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.49 | 2.88 | -51.32 | 1 | 4 | -1 | 64 | 198.242 | 2 | ↓ |
