| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 20 | Yes |
Popular Name: 5-(4-isobutylpiperazin-1-yl)-1,3-dimethyl-pyrazole-4-carboxylic 5-(4-isobutylpiperazin-1-yl)-1,3…
| 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) | 1.35 | 9.13 | -66.18 | 1 | 6 | 0 | 66 | 280.372 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.35 | 7.19 | -51.75 | 0 | 6 | -1 | 64 | 279.364 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.35 | 9.26 | -77.08 | 2 | 6 | 1 | 67 | 281.38 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
