| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 19 | Yes |
Popular Name: 1H-Indazole-5-carbonitrile, 3,6-diamino-4-phenyl- 1H-Indazole-5-carbonitrile, 3,6-…
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CAS Number: 1196450-97-1
| 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) | 2.10 | 3.91 | -8.04 | 5 | 5 | 0 | 105 | 249.277 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.10 | 4 | -34.55 | 6 | 5 | 1 | 106 | 250.285 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DYR1A-1-E | Dual Specificity Tyrosine-phosphorylation-regulated Kinase 1A (cluster #1 Of 3), Eukaryotic | Eukaryotes | 410 | 0.47 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DYR1A_HUMAN | Q13627 | Dual-specificity Tyrosine-phosphorylation Regulated Kinase 1A, Human | 410 | 0.47 | Binding ≤ 1μM |
| DYR1A_HUMAN | Q13627 | Dual-specificity Tyrosine-phosphorylation Regulated Kinase 1A, Human | 410 | 0.47 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G0 and Early G1 |
No pre-computed analogs available. Try a structural similarity search.
