| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2004 | 19 | No |
| 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) | 1.81 | 6.49 | -73.15 | 2 | 4 | -1 | 80 | 276.252 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.81 | 5.38 | -28.69 | 3 | 4 | 0 | 77 | 277.26 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.81 | 4.24 | -45.64 | 2 | 4 | -1 | 72 | 276.252 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 5.24e-01 g/l | DrugBank-experimental |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPAP-1-E | Prostatic Acid Phosphatase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4 | 0.62 | Binding ≤ 10μM |
| PPAP-1-E | Prostatic Acid Phosphatase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5 | 0.61 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPAP_HUMAN | P15309 | Prostatic Acid Phosphatase, Human | 5 | 0.61 | Binding ≤ 1μM |
| PPAP_HUMAN | P15309 | Prostatic Acid Phosphatase, Human | 5 | 0.61 | Binding ≤ 10μM |
