| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2008 | 14 | No |
Popular Name: (5R,6S,7R)-5-(Hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d]thiazole-6,7-diol (5R,6S,7R)-5-(Hydroxymethyl)-2-m…
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CAS Numbers: 179030-22-9 , [179030-22-9]
(3aR,5R,6S,7R,7aR)-5-(Hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d]thiazole-6,7-diol
| 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) | -0.91 | -6.58 | -10.79 | 3 | 5 | 0 | 82 | 219.262 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NCOAT-1-E | Bifunctional Protein NCOAT (cluster #1 Of 1), Eukaryotic | Eukaryotes | 70 | 0.72 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NCOAT_HUMAN | O60502 | Bifunctional Protein NCOAT, Human | 10 | 0.80 | Binding ≤ 1μM |
| NCOAT_HUMAN | O60502 | Bifunctional Protein NCOAT, Human | 10 | 0.80 | Binding ≤ 10μM |
