| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2004 | 21 | No |
Popular Name: 4-amino-2-[(3S)-2,6-diketo-3-methyl-3-piperidyl]isoindoline-1,3-quinone 4-amino-2-[(3S)-2,6-diketo-3-met…
| 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) | -0.09 | 2.23 | -13.11 | 3 | 7 | 0 | 111 | 287.275 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100081-1-O | PBMC (Peripheral Blood Mononuclear Cells) (cluster #1 Of 1), Other | Other | 44 | 0.49 | Binding ≤ 10μM |
| Z50587-1-O | Homo Sapiens (cluster #1 Of 1), Other | Other | 216 | 0.44 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50587 | Z50587 | Homo Sapiens | 216 | 0.44 | Binding ≤ 1μM |
| Z100081 | Z100081 | PBMC (Peripheral Blood Mononuclear Cells) | 44 | 0.49 | Binding ≤ 1μM |
| Z50587 | Z50587 | Homo Sapiens | 216 | 0.44 | Binding ≤ 10μM |
| Z100081 | Z100081 | PBMC (Peripheral Blood Mononuclear Cells) | 44 | 0.49 | Binding ≤ 10μM |
