| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 31 | Yes |
Popular Name: (2S)-2-[[4-[5-(4-fluorophenyl)-4-(4-pyridyl)-1H-pyrrol-2-yl]-1-piperidyl]methyl]piperazine (2S)-2-[[4-[5-(4-fluorophenyl)-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) | 2.83 | 9.59 | -113.7 | 5 | 5 | 2 | 62 | 421.564 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.83 | 7.69 | -45.08 | 4 | 5 | 1 | 61 | 420.556 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.83 | 10.1 | -165.05 | 6 | 5 | 3 | 63 | 422.572 | 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 | 0 | 0.00 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q8MMZ8_EIMTE | Q8MMZ8 | CGMP-dependent Protein Kinase, Eimte | 0.1 | 0.45 | Binding ≤ 1μM |
| Q8MMZ8_EIMTE | Q8MMZ8 | CGMP-dependent Protein Kinase, Eimte | 0.1 | 0.45 | Binding ≤ 10μM |
