| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2008 | 15 | Yes |
Popular Name: 2-amino-2-phenyl-1-(pyrrolidin-1-yl)ethan-1-one 2-amino-2-phenyl-1-(pyrrolidin-1…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1161012-25-4 , 1214020-17-3
| 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) | -0.82 | 3.73 | -43.66 | 3 | 3 | 1 | 48 | 205.281 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.82 | 3.42 | -10 | 2 | 3 | 0 | 46 | 204.273 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 239 - 241 | Enamine Building Blocks |
| MP | 239...241 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP4-2-E | Dipeptidyl Peptidase IV (cluster #2 Of 3), Eukaryotic | Eukaryotes | 5300 | 0.49 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP4_HUMAN | P27487 | Dipeptidyl Peptidase IV, Human | 5300 | 0.49 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis, secretion, and inactivation of Glucagon-like Peptide-1 (GLP-1) | |
| Synthesis, secretion, and inactivation of Glucose-dependent Insulinotropic Polyp |
