| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2010 | 20 | No |
Popular Name: 2-(benzimidazol-1-yl)-1-(3,4-dihydroxyphenyl)ethanone 2-(benzimidazol-1-yl)-1-(3,4-dih…
| 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) | 1.68 | 4.87 | -21.02 | 2 | 5 | 0 | 75 | 268.272 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.68 | 5.81 | -50.56 | 1 | 5 | -1 | 78 | 267.264 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.68 | 5.35 | -45.02 | 3 | 5 | 1 | 77 | 269.28 | 3 | ↓ |
| 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 | 800 | 0.43 | Binding ≤ 10μM |
| PPBN-1-E | Alkaline Phosphatase Placental-like (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2700 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PLAP_HUMAN | Q9Y263 | Phospholipase A-2-activating Protein, Human | 800 | 0.43 | Binding ≤ 1μM |
| PPBN_HUMAN | P10696 | Alkaline Phosphatase Placental-like, Human | 2700 | 0.39 | Binding ≤ 10μM |
| PLAP_HUMAN | Q9Y263 | Phospholipase A-2-activating Protein, Human | 800 | 0.43 | Binding ≤ 10μM |
