| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2010 | 24 | 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) | 1.79 | 6.48 | -60.39 | 2 | 4 | 1 | 51 | 324.4 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.79 | 4.58 | -13.33 | 1 | 4 | 0 | 50 | 323.392 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.79 | 4.52 | -12.97 | 1 | 4 | 0 | 50 | 323.392 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50512-1-O | Cavia Porcellus (cluster #1 Of 7), Other | Other | 300 | 0.38 | Functional ≤ 10μM |
| Z50594-1-O | Mus Musculus (cluster #1 Of 9), Other | Other | 300 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50512 | Z50512 | Cavia Porcellus | 300 | 0.38 | Functional ≤ 10μM |
| Z50594 | Z50594 | Mus Musculus | 300 | 0.38 | Functional ≤ 10μM |
