| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 26th, 2009 | 18 | Yes |
Popular Name: 8-chloro-6-methyl-spiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-2-one 8-chloro-6-methyl-spiro[1,3-dihy…
| 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) | 4.24 | 6.32 | -7.86 | 2 | 3 | 0 | 41 | 264.756 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE7A-1-E | Phosphodiesterase 7A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 160 | 0.53 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE7A_HUMAN | Q13946 | Phosphodiesterase 7A, Human | 160 | 0.53 | Binding ≤ 1μM |
| PDE7A_HUMAN | Q13946 | Phosphodiesterase 7A, Human | 160 | 0.53 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (s) signalling events |
