| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 27 | Yes |
Popular Name: (2S)-1-[(2S)-2-[5-(4-fluorophenyl)-4-(4-pyridyl)-1H-pyrrol-2-yl]pyrrolidin-1-yl]propan-2-ol (2S)-1-[(2S)-2-[5-(4-fluoropheny…
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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) | 3.48 | 9.18 | -39.47 | 3 | 4 | 1 | 53 | 366.46 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.48 | 9.66 | -84.52 | 4 | 4 | 2 | 55 | 367.468 | 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 | 3 | 0.44 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q8MMZ8_EIMTE | Q8MMZ8 | CGMP-dependent Protein Kinase, Eimte | 2.8 | 0.44 | Binding ≤ 1μM |
| Q8MMZ8_EIMTE | Q8MMZ8 | CGMP-dependent Protein Kinase, Eimte | 2.8 | 0.44 | Binding ≤ 10μM |
