| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 8th, 2009 | 15 | Yes |
Popular Name: spiro[adamantane-2,4'-piperidine] hydrochloride spiro[adamantane-2,4'-piperidine…
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CAS Number: 1797363-68-8
| 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) | 3.00 | 6.43 | -42.28 | 2 | 1 | 1 | 17 | 206.353 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50418-3-O | Trypanosoma Brucei (cluster #3 Of 6), Other | Other | 5280 | 0.49 | Functional ≤ 10μM |
| Z50652-2-O | Influenza A Virus (cluster #2 Of 4), Other | Other | 160 | 0.63 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50652 | Z50652 | Influenza A Virus | 160 | 0.63 | Functional ≤ 10μM |
| Z50418 | Z50418 | Trypanosoma Brucei | 5280 | 0.49 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.