| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 10 | Yes |
None
| 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) | -0.12 | 1.69 | -42.36 | 4 | 3 | 1 | 56 | 140.21 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.12 | 2.37 | -99.9 | 5 | 3 | 2 | 58 | 141.218 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50597-8-O | Rattus Norvegicus (cluster #8 Of 12), Other | Other | 3 | 1.19 | Functional ≤ 10μM |
| Z50597-8-O | Rattus Norvegicus (cluster #8 Of 12), Other | Other | 12 | 1.11 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50597 | Z50597 | Rattus Norvegicus | 12 | 1.11 | Functional ≤ 10μM |
