| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 17th, 2009 | 34 | No |
Popular Name: (3S,5S)-1-benzyl-3,5-bis(1H-indol-3-ylmethyl)piperidin-4-one (3S,5S)-1-benzyl-3,5-bis(1H-indo…
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) | 5.42 | 15.57 | -53.83 | 3 | 4 | 1 | 53 | 448.59 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.42 | 13.46 | -14.36 | 2 | 4 | 0 | 52 | 447.582 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCKAR-1-E | Cholecystokinin A Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4000 | 0.22 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCKAR_RAT | P30551 | Cholecystokinin A Receptor, Rat | 4000 | 0.22 | Binding ≤ 10μM |
