| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 2nd, 2009 | 35 | Yes |
Popular Name: 1-[3-[[dimethyl(morpholino)BLAHyl]amino]propyl]pyrrolidin-2-one 1-[3-[[dimethyl(morpholino)BLAHy…
| 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) | 2.66 | 9.79 | -15.17 | 1 | 9 | 0 | 93 | 496.637 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.66 | 10.24 | -34.07 | 2 | 9 | 1 | 94 | 497.645 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE4B-1-E | Phosphodiesterase 4B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 167 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE4B_HUMAN | Q07343 | Phosphodiesterase 4B, Human | 167 | 0.27 | Binding ≤ 1μM |
| PDE4B_HUMAN | Q07343 | Phosphodiesterase 4B, Human | 167 | 0.27 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| DARPP-32 events | |
| G alpha (s) signalling events |
