| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 9th, 2010 | 45 | No |
| 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) | 4.58 | 12.52 | -51.58 | 4 | 10 | -1 | 152 | 615.751 | 13 | ↓ |
| Lo Low (pH 4.5-6) | 4.58 | 10.53 | -11.07 | 5 | 10 | 0 | 150 | 616.759 | 13 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCKAR-1-E | Cholecystokinin A Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1120 | 0.19 | Binding ≤ 10μM |
| GASR-1-E | Cholecystokinin B Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9 | 0.25 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GASR_RAT | P30553 | Cholecystokinin B Receptor, Rat | 9 | 0.25 | Binding ≤ 1μM |
| CCKAR_RAT | P30551 | Cholecystokinin A Receptor, Rat | 1120 | 0.19 | Binding ≤ 10μM |
| GASR_RAT | P30553 | Cholecystokinin B Receptor, Rat | 9 | 0.25 | Binding ≤ 10μM |
