| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 25 | Yes |
Popular Name: (1S)-1-[5-(4-fluorophenyl)-4-(4-pyridyl)-1H-pyrrol-2-yl]-N,N,2-trimethyl-propan-1-amine (1S)-1-[5-(4-fluorophenyl)-4-(4-…
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) | 4.47 | 11.23 | -43.18 | 2 | 3 | 1 | 33 | 338.45 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.47 | 9.09 | -4.86 | 1 | 3 | 0 | 32 | 337.442 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.47 | 11.71 | -86.48 | 3 | 3 | 2 | 34 | 339.458 | 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 | 1 | 0.50 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q8MMZ8_EIMTE | Q8MMZ8 | CGMP-dependent Protein Kinase, Eimte | 0.71 | 0.51 | Binding ≤ 1μM |
| Q8MMZ8_EIMTE | Q8MMZ8 | CGMP-dependent Protein Kinase, Eimte | 0.71 | 0.51 | Binding ≤ 10μM |
