| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 12 | No |
Popular Name: 5-(Pyridin-4-yl)-1H-imidazole-2-thiol 5-(Pyridin-4-yl)-1H-imidazole-2-…
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CAS Number: 146366-04-3
| 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) | 0.30 | 3.91 | -17.59 | 2 | 3 | 0 | 44 | 177.232 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HDAC8-4-E | Histone Deacetylase 8 (cluster #4 Of 4), Eukaryotic | Eukaryotes | 500 | 0.74 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HDAC8_HUMAN | Q9BY41 | Histone Deacetylase 8, Human | 500 | 0.74 | Binding ≤ 1μM |
| HDAC8_HUMAN | Q9BY41 | Histone Deacetylase 8, Human | 500 | 0.74 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants | |
| Constitutive Signaling by NOTCH1 PEST Domain Mutants | |
| HDACs deacetylate histones | |
| NOTCH1 Intracellular Domain Regulates Transcription |
No pre-computed analogs available. Try a structural similarity search.