| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2008 | 15 | No |
Popular Name: (5Z)-5-(3-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one (5Z)-5-(3-hydroxybenzylidene)-2-…
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CAS Number: 37530-35-1
| 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) | 1.32 | 2.28 | -10.28 | 2 | 3 | 0 | 53 | 237.305 | 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 | 600 | 0.58 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ARY1_HUMAN | P18440 | Arylamine N-acetyltransferase 1, Human | 600 | 0.58 | Binding ≤ 1μM |
| ARY1_HUMAN | P18440 | Arylamine N-acetyltransferase 1, Human | 600 | 0.58 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Acetylation |
