| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 26 | Yes |
Popular Name: 2-[(2S)-2-[5-(4-fluorophenyl)-4-(4-pyridyl)-1H-pyrrol-2-yl]pyrrolidin-1-yl]ethanol 2-[(2S)-2-[5-(4-fluorophenyl)-4-…
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| 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) | 3.12 | 8.02 | -40.73 | 3 | 4 | 1 | 53 | 352.433 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.12 | 8.5 | -82.78 | 4 | 4 | 2 | 55 | 353.441 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q8MMZ8-1-E | CGMP-dependent Protein Kinase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2 | 0.47 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q8MMZ8_EIMTE | Q8MMZ8 | CGMP-dependent Protein Kinase, Eimte | 2.1 | 0.47 | Binding ≤ 1μM |
| Q8MMZ8_EIMTE | Q8MMZ8 | CGMP-dependent Protein Kinase, Eimte | 2.1 | 0.47 | Binding ≤ 10μM |
