UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12499538
12499538

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Popular Name: (1S,5R)-N-phenyl-7-(pivaloylamino)-9-azabicyclo[3.3.1]nonane-9-carboxamide (1S,5R)-N-phenyl-7-(pivaloylamin…

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Physical Representations

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) 4.10 8.69 -19.97 2 5 0 61 343.471 3 ↓

Analogs

4888429
4888429
5135328
5135328
29562860
29562860

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Popular Name: 7-(2,2-dimethylpropanoylamino)-N,N-bis[7-(2,2-dimethylpropanoylamino)-9-azabicyclo[3.3.1]non-5-yl]-9 7-(2,2-dimethylpropanoylamino)-N…

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Physical Representations

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) 4.11 -0.69 -19.18 2 6 0 70 373.497 4 ↓

Analogs

4887355
4887355
4887868
4887868

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Popular Name: 7-acetylamino-N,N-bis(7-acetylamino-9-azabicyclo[3.3.1]non-5-yl)-9-azabicyclo[3.3.1]nonane-9-carboxa 7-acetylamino-N,N-bis(7-acetylam…

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Physical Representations

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) 2.17 -2.36 -12.71 2 6 0 70 331.416 3 ↓

Analogs

12481866
12481866
12499637
12499637
4887873
4887873

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Popular Name: 7-acetylamino-N-(2,6-dimethylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide 7-acetylamino-N-(2,6-dimethylphe…

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Physical Representations

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) 1.97 -0.79 -16.29 2 5 0 61 329.444 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(2,2-dimethylpropanoylamino)-N,N-bis[7-(2,2-dimethylpropanoylamino)-9-azabicyclo[3.3.1]non-5-yl]-9 7-(2,2-dimethylpropanoylamino)-N…

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Physical Representations

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) 4.22 8.38 -11.45 2 5 0 61 361.461 3 ↓

Analogs

4888235
4888235
4888237
4888237
12494557
12494557
12499680
12499680
12499682
12499682

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Popular Name: 7-acetylamino-N,N-bis(7-acetylamino-9-azabicyclo[3.3.1]non-5-yl)-9-azabicyclo[3.3.1]nonane-9-carboxa 7-acetylamino-N,N-bis(7-acetylam…

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Physical Representations

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) 2.25 -1.15 -16.18 2 5 0 61 319.38 2 ↓

Analogs

12499682
12499682
4888226
4888226

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Popular Name: 7-(2,2-dimethylpropanoylamino)-N,N-bis[7-(2,2-dimethylpropanoylamino)-9-azabicyclo[3.3.1]non-5-yl]-9 7-(2,2-dimethylpropanoylamino)-N…

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Physical Representations

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) 4.24 -0.13 -17.13 2 5 0 61 361.461 3 ↓

Analogs

4887645
4887645
4888226
4888226

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Popular Name: 7-acetylamino-N,N-bis(7-acetylamino-9-azabicyclo[3.3.1]non-5-yl)-9-azabicyclo[3.3.1]nonane-9-carboxa 7-acetylamino-N,N-bis(7-acetylam…

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Physical Representations

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) 2.27 -1.65 -12.03 2 5 0 61 319.38 2 ↓

Analogs

4888477
4888477
12499690
12499690

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Popular Name: 7-(2,2-dimethylpropanoylamino)-N,N-bis[7-(2,2-dimethylpropanoylamino)-9-azabicyclo[3.3.1]non-5-yl]-9 7-(2,2-dimethylpropanoylamino)-N…

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Physical Representations

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) 4.26 -0.09 -12.66 2 5 0 61 361.461 3 ↓

Analogs

4888255
4888255
4888264
4888264
6768951
6768951
12494562
12494562
12499697
12499697

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Popular Name: 7-acetylamino-N,N-bis(7-acetylamino-9-azabicyclo[3.3.1]non-5-yl)-9-azabicyclo[3.3.1]nonane-9-carboxa 7-acetylamino-N,N-bis(7-acetylam…

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Physical Representations

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) 2.74 -2.37 -10.87 2 5 0 61 335.835 2 ↓

Analogs

4888247
4888247

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Popular Name: 7-(2,2-dimethylpropanoylamino)-N,N-bis[7-(2,2-dimethylpropanoylamino)-9-azabicyclo[3.3.1]non-5-yl]-9 7-(2,2-dimethylpropanoylamino)-N…

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Physical Representations

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) 4.73 8.89 -11.1 2 5 0 61 377.916 3 ↓

Analogs

12499702
12499702

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Popular Name: 7-acetylamino-N,N-bis(7-acetylamino-9-azabicyclo[3.3.1]non-5-yl)-9-azabicyclo[3.3.1]nonane-9-carboxa 7-acetylamino-N,N-bis(7-acetylam…

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Physical Representations

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) 2.76 -2.04 -15.03 2 5 0 61 335.835 2 ↓

Analogs

4888490
4888490

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Popular Name: 7-(2,2-dimethylpropanoylamino)-N,N-bis[7-(2,2-dimethylpropanoylamino)-9-azabicyclo[3.3.1]non-5-yl]-9 7-(2,2-dimethylpropanoylamino)-N…

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Physical Representations

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) 4.75 9.23 -14.04 2 5 0 61 377.916 3 ↓

Analogs

4888247
4888247

Draw Identity 99% 90% 80% 70%

Popular Name: 7-acetylamino-N,N-bis(7-acetylamino-9-azabicyclo[3.3.1]non-5-yl)-9-azabicyclo[3.3.1]nonane-9-carboxa 7-acetylamino-N,N-bis(7-acetylam…

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Physical Representations

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) 2.79 -2.54 -11.54 2 5 0 61 335.835 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(2,2-dimethylpropanoylamino)-N,N-bis[7-(2,2-dimethylpropanoylamino)-9-azabicyclo[3.3.1]non-5-yl]-9 7-(2,2-dimethylpropanoylamino)-N…

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Physical Representations

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) 4.78 9.23 -14.85 2 5 0 61 377.916 3 ↓

Analogs

4882643
4882643

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Popular Name: 7-acetylamino-N,N-bis(7-acetylamino-9-azabicyclo[3.3.1]non-5-yl)-9-azabicyclo[3.3.1]nonane-9-carboxa 7-acetylamino-N,N-bis(7-acetylam…

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Physical Representations

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) 3.61 8.09 -13.93 2 5 0 61 403.832 3 ↓

Parameters Provided:

ring.id = 224955
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 224955 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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