| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 2nd, 2008 | 14 | No |
Popular Name: (5E)-5-(4-pyridylmethylene)-2-thioxo-thiazolidin-4-one (5E)-5-(4-pyridylmethylene)-2-th…
| 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) | 0.99 | 2.7 | -38.58 | 0 | 3 | -1 | 49 | 221.286 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.99 | 3.16 | -55.53 | 1 | 3 | 0 | 50 | 222.294 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CISD1-1-E | CDGSH Iron-sulfur Domain-containing Protein 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5970 | 0.52 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CISD1_HUMAN | Q9NZ45 | CDGSH Iron-sulfur Domain-containing Protein 1, Human | 5970 | 0.52 | Binding ≤ 10μM |
