| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 24th, 2008 | 35 | Yes |
Popular Name: ethyl-methyl-morpholino-N-(2-morpholinoethyl)BLAHamine ethyl-methyl-morpholino-N-(2-mor…
| 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) | 3.02 | 6.05 | -9.81 | 1 | 9 | 0 | 85 | 498.653 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.02 | 6.46 | -32.55 | 2 | 9 | 1 | 86 | 499.661 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.02 | 8.38 | -47.77 | 2 | 9 | 1 | 86 | 499.661 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE4B-1-E | Phosphodiesterase 4B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 90 | 0.28 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE4B_HUMAN | Q07343 | Phosphodiesterase 4B, Human | 90 | 0.28 | Binding ≤ 1μM |
| PDE4B_HUMAN | Q07343 | Phosphodiesterase 4B, Human | 90 | 0.28 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| DARPP-32 events | |
| G alpha (s) signalling events |
