| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2010 | 23 | 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) | 3.65 | 5.2 | -51.36 | 0 | 5 | -1 | 70 | 392.254 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.65 | 5.63 | -24.94 | 1 | 5 | 0 | 72 | 393.262 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.65 | 5.31 | -10.24 | 1 | 5 | 0 | 68 | 393.262 | 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 | 120 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPBT_HUMAN | P05186 | Alkaline Phosphatase, Tissue-nonspecific Isozyme, Human | 120 | 0.42 | Binding ≤ 1μM |
| PPBT_HUMAN | P05186 | Alkaline Phosphatase, Tissue-nonspecific Isozyme, Human | 120 | 0.42 | Binding ≤ 10μM |
