| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 26 | Yes |
Popular Name: (2S)-2-amino-4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-isoindolin-2-yl-butane-1,4-dione (2S)-2-amino-4-(3,4-dihydro-1H-i…
| 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) | 1.75 | 7.57 | -43.01 | 3 | 5 | 1 | 68 | 350.442 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP8-1-E | Dipeptidyl Peptidase VIII (cluster #1 Of 2), Eukaryotic | Eukaryotes | 555 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP8_HUMAN | Q6V1X1 | Dipeptidyl Peptidase VIII, Human | 555 | 0.34 | Binding ≤ 1μM |
| DPP8_HUMAN | Q6V1X1 | Dipeptidyl Peptidase VIII, Human | 555 | 0.34 | Binding ≤ 10μM |
