| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2009 | 28 | No |
Popular Name: [3-isobutyl-5-methyl-1-(4-nitrophenyl)pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone [3-isobutyl-5-methyl-1-(4-nitrop…
| 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) | 2.17 | 9.04 | -10.58 | 0 | 8 | 0 | 87 | 385.468 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.17 | 11.4 | -50.74 | 1 | 8 | 1 | 88 | 386.476 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
