| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 19 | Yes |
Popular Name: (2S)-2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]pentanedinitrile (2S)-2-[[3-(3,5-dimethylpyrazol-…
| 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) | 0.59 | 4.89 | -15.93 | 0 | 5 | 0 | 69 | 257.341 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.59 | 5.01 | -38.55 | 1 | 5 | 1 | 70 | 258.349 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
