| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 17 | Yes |
Popular Name: 4-[(2S)-2-(pyrazol-1-ylmethyl)-1-piperidyl]butanenitrile 4-[(2S)-2-(pyrazol-1-ylmethyl)-1…
| 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) | 1.04 | 8.19 | -50.29 | 1 | 4 | 1 | 46 | 233.339 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.04 | 6.01 | -10.53 | 0 | 4 | 0 | 45 | 232.331 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
