| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 20 | Yes |
Popular Name: 3-(2,4-dichlorophenyl)-N-isobutyl-1H-pyrazole-5-carboxamide 3-(2,4-dichlorophenyl)-N-isobuty…
| 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) | 3.83 | 6.34 | -8.36 | 2 | 4 | 0 | 58 | 312.2 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPBT-1-E | Alkaline Phosphatase Tissue-nonspecific (cluster #1 Of 1), Eukaryotic | Eukaryotes | 82 | 0.50 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPBT_HUMAN | P05186 | Alkaline Phosphatase, Tissue-nonspecific Isozyme, Human | 82 | 0.50 | Binding ≤ 1μM |
| PPBT_HUMAN | P05186 | Alkaline Phosphatase, Tissue-nonspecific Isozyme, Human | 82 | 0.50 | Binding ≤ 10μM |
