| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2010 | 41 | 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) | 0.48 | -0.45 | -56.31 | 10 | 12 | 1 | 207 | 569.683 | 15 | ↓ |
| Mid Mid (pH 6-8) | 0.48 | -0.79 | -20.13 | 9 | 12 | 0 | 206 | 568.675 | 15 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 5), Other | Other | 30 | 0.26 | Binding ≤ 10μM |
| Z50512-1-O | Cavia Porcellus (cluster #1 Of 7), Other | Other | 5 | 0.28 | Functional ≤ 10μM |
| Z50594-4-O | Mus Musculus (cluster #4 Of 9), Other | Other | 3 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50597 | Z50597 | Rattus Norvegicus | 30 | 0.26 | Binding ≤ 1μM |
| Z50597 | Z50597 | Rattus Norvegicus | 30 | 0.26 | Binding ≤ 10μM |
| Z50512 | Z50512 | Cavia Porcellus | 5.23 | 0.28 | Functional ≤ 10μM |
| Z50594 | Z50594 | Mus Musculus | 2.88 | 0.29 | Functional ≤ 10μM |
