| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 8th, 2009 | 23 | Yes |
Popular Name: N-(3-fluorophenyl)-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide N-(3-fluorophenyl)-1-(4-fluoroph…
| 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) | 3.01 | 8.2 | -13.61 | 1 | 4 | 0 | 47 | 313.307 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50587-1-O | Homo Sapiens (cluster #1 Of 9), Other | Other | 3000 | 0.34 | Functional ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 800 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50587 | Z50587 | Homo Sapiens | 3000 | 0.34 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 800 | 0.37 | Functional ≤ 10μM |
