| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2011 | 16 | Yes |
Popular Name: (3S)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]butanenitrile (3S)-3-[3-(3,5-dimethylpyrazol-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) | 0.50 | 3.64 | -10.4 | 0 | 4 | 0 | 45 | 218.304 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.50 | 3.76 | -29.68 | 1 | 4 | 1 | 46 | 219.312 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.50 | 6.62 | -44.89 | 1 | 4 | 1 | 46 | 219.312 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
