| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 7th, 2009 | 19 | Yes |
Popular Name: (3S,4R)-3-butyl-1-(3,4-dichlorophenyl)piperidin-4-amine (3S,4R)-3-butyl-1-(3,4-dichlorop…
| 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) | 4.63 | 6.94 | -50.37 | 3 | 2 | 1 | 31 | 302.269 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP4-1-E | Dipeptidyl Peptidase IV (cluster #1 Of 3), Eukaryotic | Eukaryotes | 3300 | 0.40 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP4_HUMAN | P27487 | Dipeptidyl Peptidase IV, Human | 3300 | 0.40 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis, secretion, and inactivation of Glucagon-like Peptide-1 (GLP-1) | |
| Synthesis, secretion, and inactivation of Glucose-dependent Insulinotropic Polyp |
