| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2011 | 20 | Yes |
Popular Name: 2-[4-[(1-isopropylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methyl-propanenitrile 2-[4-[(1-isopropylpyrazol-3-yl)m…
| 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) | 1.66 | 3.74 | -11.52 | 0 | 5 | 0 | 48 | 275.4 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.66 | 6.01 | -39.01 | 1 | 5 | 1 | 49 | 276.408 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
