| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 29th, 2006 | 27 | No |
Popular Name: (4-nitrophenyl)methyl (4-nitrophenyl)methyl
| 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) | 1.16 | -4.15 | -55.68 | 4 | 9 | 1 | 132 | 379.437 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP8-1-E | Dipeptidyl Peptidase VIII (cluster #1 Of 2), Eukaryotic | Eukaryotes | 147 | 0.35 | Binding ≤ 10μM |
| DPP9-1-E | Dipeptidyl Peptidase IX (cluster #1 Of 2), Eukaryotic | Eukaryotes | 168 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP9_HUMAN | Q86TI2 | Dipeptidyl Peptidase IX, Human | 168 | 0.35 | Binding ≤ 1μM |
| DPP8_HUMAN | Q6V1X1 | Dipeptidyl Peptidase VIII, Human | 147 | 0.35 | Binding ≤ 1μM |
| DPP9_HUMAN | Q86TI2 | Dipeptidyl Peptidase IX, Human | 168 | 0.35 | Binding ≤ 10μM |
| DPP8_HUMAN | Q6V1X1 | Dipeptidyl Peptidase VIII, Human | 147 | 0.35 | Binding ≤ 10μM |
