| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 15 | No |
Popular Name: (2-oxo-1,2-dihydro-3h-indol-3-ylidene)malononitrile (2-oxo-1,2-dihydro-3h-indol-3-yl…
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CAS Number: 6623-89-8
(2-oxo-1,2-dihydro-3H-indol-3-ylidene)propanedinitrile
| 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) | 1.18 | 4.04 | -8.85 | 1 | 4 | 0 | 80 | 195.181 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 211 | MolMall (formerly Molecular Diversity Preservation International) |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Fluorochem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P90584-2-E | Protein Kinase Pfmrk (cluster #2 Of 2), Eukaryotic | Eukaryotes | 5100 | 0.49 | Binding ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 5000 | 0.49 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P90584_PLAFA | P90584 | Protein Kinase Pfmrk, Plafa | 5100 | 0.49 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 5000 | 0.49 | Functional ≤ 10μM |
