| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 24 | Yes |
Popular Name: (2S,3R)-1-[(2S)-2-hydroxypropyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]piperidine-3-carboxylic (2S,3R)-1-[(2S)-2-hydroxypropyl]…
| 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) | 1.84 | 6.06 | -46.75 | 1 | 5 | -1 | 81 | 344.309 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.84 | 4.21 | -9.68 | 2 | 5 | 0 | 78 | 345.317 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
