| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 20 | Yes |
Popular Name: 4-[(4-isobutylpiperazin-1-yl)methyl]-N,2,5-trimethyl-pyrazol-3-amine 4-[(4-isobutylpiperazin-1-yl)met…
| 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) | 1.34 | 5.59 | -76.75 | 3 | 5 | 2 | 39 | 281.448 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.34 | 3.63 | -25.9 | 2 | 5 | 1 | 38 | 280.44 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.34 | 3.49 | -6.33 | 1 | 5 | 0 | 36 | 279.432 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.34 | 5.47 | -36.74 | 2 | 5 | 1 | 38 | 280.44 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
