| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 22 | Yes |
| 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) | 1.67 | 0.79 | -11.68 | 1 | 5 | 0 | 75 | 296.326 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US6153627 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50512-1-O | Cavia Porcellus (cluster #1 Of 7), Other | Other | 760 | 0.39 | Functional ≤ 10μM |
| Z50590-1-O | Sus Scrofa (cluster #1 Of 1), Other | Other | 300 | 0.42 | Functional ≤ 10μM |
| Z50592-1-O | Oryctolagus Cuniculus (cluster #1 Of 8), Other | Other | 174 | 0.43 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50512 | Z50512 | Cavia Porcellus | 760 | 0.39 | Functional ≤ 10μM |
| Z50592 | Z50592 | Oryctolagus Cuniculus | 105 | 0.44 | Functional ≤ 10μM |
| Z50590 | Z50590 | Sus Scrofa | 300 | 0.42 | Functional ≤ 10μM |
