| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2007 | 17 | No |
Popular Name: 5-[(4-hydroxy-3,5-diiodo-phenyl)methylene]-2-thioxo-thiazolidin-4-one 5-[(4-hydroxy-3,5-diiodo-phenyl)…
| 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) | 3.63 | -5.8 | -8.55 | 2 | 3 | 0 | 53 | 489.097 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ARY1-1-E | Arylamine N-acetyltransferase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 330 | 0.53 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ARY1_HUMAN | P18440 | Arylamine N-acetyltransferase 1, Human | 138 | 0.56 | Binding ≤ 1μM |
| ARY1_HUMAN | P18440 | Arylamine N-acetyltransferase 1, Human | 138 | 0.56 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Acetylation |
