| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2005 | 19 | No |
Popular Name: 3-(5-benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl)propanoic 3-(5-benzylidene-4-oxo-2-thioxo-…
| 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) | 1.41 | -1.34 | -54.21 | 0 | 4 | -1 | 62 | 292.361 | 4 | ↓ |
| 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 | 9630 | 0.37 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CISD1_HUMAN | Q9NZ45 | CDGSH Iron-sulfur Domain-containing Protein 1, Human | 9630 | 0.37 | Binding ≤ 10μM |
