| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 17th, 2004 | 25 | No |
Popular Name: [4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone [4-amino-2-(4-chloroanilino)-1,3…
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CAS Number: 339020-37-0
| 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) | 4.90 | -1.24 | -14.33 | 3 | 7 | 0 | 113 | 374.809 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 243 - 244 | KeyOrganics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104294-1-O | Cyclin-dependent Kinase 5/CDK5 Activator 1 (cluster #1 Of 2), Other | Other | 750 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104294 | Z104294 | Cyclin-dependent Kinase 5/CDK5 Activator 1 | 750 | 0.34 | Binding ≤ 1μM |
| Z104294 | Z104294 | Cyclin-dependent Kinase 5/CDK5 Activator 1 | 2000 | 0.32 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.