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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2803607
2803607
2803691
2803691
28577372
28577372

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Popular Name: N-(2-adamantyl)-1-ethyl-3-methyl-pyrazole-4-sulfonamide N-(2-adamantyl)-1-ethyl-3-methyl…

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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) 2.75 -4.25 -10.54 1 5 0 63 323.462 4 ↓

Analogs

6555375
6555375
17070948
17070948

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Popular Name: N-(2-adamantyl)-1-methyl-pyrazole-4-sulfonamide N-(2-adamantyl)-1-methyl-pyrazol…

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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) 2.15 -4.65 -10.39 1 5 0 63 295.408 3 ↓

Analogs

6555376
6555376
17072975
17072975
37041485
37041485
37041487
37041487

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Popular Name: N-(2-adamantyl)-1-ethyl-pyrazole-4-sulfonamide N-(2-adamantyl)-1-ethyl-pyrazole…

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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) 2.53 -4.6 -10.17 1 5 0 63 309.435 4 ↓

Analogs

6555374
6555374
17072978
17072978
2789878
2789878

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Popular Name: N-(2-adamantyl)-1,3-dimethyl-pyrazole-4-sulfonamide N-(2-adamantyl)-1,3-dimethyl-pyr…

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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) 2.38 -4.3 -10.74 1 5 0 63 309.435 3 ↓

Analogs

6555377
6555377
2789878
2789878

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-adamantyl)-1-ethyl-5-methyl-pyrazole-4-sulfonamide N-(2-adamantyl)-1-ethyl-5-methyl…

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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) 2.75 -4.28 -11.72 1 5 0 63 323.462 4 ↓

Analogs

37840288
37840288

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Popular Name: N-(2-adamantyl)-N-methyl-1H-pyrazole-4-sulfonamide N-(2-adamantyl)-N-methyl-1H-pyra…

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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) 2.33 3.13 -9.98 1 5 0 66 295.408 3 ↓

Analogs

21950422
21950422
35175229
35175229
35175226
35175226
35149022
35149022

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-adamantyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide N-(2-adamantyl)-N,5-dimethyl-1H-…

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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) 2.55 3.57 -10.54 1 5 0 66 309.435 3 ↓

Parameters Provided:

ring.id = 236797
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 = 236797 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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