| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2011 | 18 | Yes |
Popular Name: (3S)-3-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxylic (3S)-3-ethyl-1-[(1-methylpyrazol…
| 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) | 0.72 | 7.52 | -50.25 | 1 | 5 | 0 | 62 | 251.33 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.72 | 5.66 | -48.21 | 0 | 5 | -1 | 61 | 250.322 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
