In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2004 | 12 | No |
Popular Name: 5,8-Isoquinolinedione; BRN 1525151; LS-85644; NSC 76882 5,8-Isoquinolinedione; BRN 15251…
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) | 0.57 | 3.26 | -6.92 | 0 | 3 | 0 | 47 | 159.144 | 0 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50597-12-O | Rattus Norvegicus (cluster #12 Of 12), Other | Other | 374 | 0.75 | Functional ≤ 10μM |
Z80362-1-O | P388 (Lymphoma Cells) (cluster #1 Of 8), Other | Other | 9000 | 0.59 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80362 | Z80362 | P388 (Lymphoma Cells) | 9000 | 0.59 | Functional ≤ 10μM |
Z50597 | Z50597 | Rattus Norvegicus | 374 | 0.75 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.