| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2005 | 24 | Yes |
| 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) | 2.90 | 3.86 | -56.17 | 0 | 6 | -1 | 80 | 343.384 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.90 | 3.98 | -12.19 | 1 | 6 | 0 | 78 | 344.392 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.90 | 4.29 | -28.21 | 1 | 6 | 0 | 81 | 344.392 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPBT-1-E | Alkaline Phosphatase Tissue-nonspecific (cluster #1 Of 1), Eukaryotic | Eukaryotes | 590 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPBT_HUMAN | P05186 | Alkaline Phosphatase, Tissue-nonspecific Isozyme, Human | 190 | 0.39 | Binding ≤ 1μM |
| PPBT_HUMAN | P05186 | Alkaline Phosphatase, Tissue-nonspecific Isozyme, Human | 190 | 0.39 | Binding ≤ 10μM |
