| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 31st, 2010 | 32 | Yes |
Popular Name: (2S)-2-amino-6-(dibenzylamino)-1-isoindolin-2-yl-hexan-1-one (2S)-2-amino-6-(dibenzylamino)-1…
| 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) | 3.39 | 13.64 | -113.61 | 4 | 4 | 2 | 52 | 429.608 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.39 | 13.3 | -50.98 | 3 | 4 | 1 | 51 | 428.6 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP2-2-E | Dipeptidyl Peptidase II (cluster #2 Of 2), Eukaryotic | Eukaryotes | 365 | 0.28 | Binding ≤ 10μM |
| DPP8-1-E | Dipeptidyl Peptidase VIII (cluster #1 Of 2), Eukaryotic | Eukaryotes | 666 | 0.27 | Binding ≤ 10μM |
| DPP9-1-E | Dipeptidyl Peptidase IX (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2390 | 0.25 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP2_HUMAN | Q9UHL4 | Dipeptidyl Peptidase II, Human | 365 | 0.28 | Binding ≤ 1μM |
| DPP8_HUMAN | Q6V1X1 | Dipeptidyl Peptidase VIII, Human | 666 | 0.27 | Binding ≤ 1μM |
| DPP2_HUMAN | Q9UHL4 | Dipeptidyl Peptidase II, Human | 365 | 0.28 | Binding ≤ 10μM |
| DPP9_HUMAN | Q86TI2 | Dipeptidyl Peptidase IX, Human | 2390 | 0.25 | Binding ≤ 10μM |
| DPP8_HUMAN | Q6V1X1 | Dipeptidyl Peptidase VIII, Human | 666 | 0.27 | Binding ≤ 10μM |
