| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 18 | No |
Popular Name: (5Z)-5-[(4-hydroxy-3,5-diiodo-phenyl)methylene]-3-methyl-2-thioxo-thiazolidin-4-one (5Z)-5-[(4-hydroxy-3,5-diiodo-ph…
| 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) | 3.70 | 7.22 | -29.52 | 0 | 3 | -1 | 45 | 502.116 | 1 | ↓ |
| Mid Mid (pH 6-8) | 3.70 | 6.61 | -8.33 | 1 | 3 | 0 | 42 | 503.124 | 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 | 7600 | 0.40 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ARY1_HUMAN | P18440 | Arylamine N-acetyltransferase 1, Human | 7600 | 0.40 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Acetylation |
