| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 17th, 2004 | 25 | No |
Popular Name: BRD-K80085445-001-01-0 BRD-K80085445-001-01-0
| 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) | 1.75 | 3.06 | -14.56 | 2 | 8 | 0 | 110 | 358.379 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.75 | 3.99 | -46.29 | 1 | 8 | -1 | 113 | 357.371 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PLAP-1-E | Phospholipase A-2-activating Protein (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2000 | 0.32 | Binding ≤ 10μM |
| PPBT-1-E | Alkaline Phosphatase Tissue-nonspecific (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8000 | 0.29 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPBT_HUMAN | P05186 | Alkaline Phosphatase, Tissue-nonspecific Isozyme, Human | 8000 | 0.29 | Binding ≤ 10μM |
| PLAP_HUMAN | Q9Y263 | Phospholipase A-2-activating Protein, Human | 2000 | 0.32 | Binding ≤ 10μM |
