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

Analogs

12499045
12499045
12499135
12499135
12499467
12499467
39981443
39981443
4886661
4886661

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Popular Name: N-(9-butyl-9-azabicyclo[3.3.1]non-7-yl)-2-chloro-benzamide N-(9-butyl-9-azabicyclo[3.3.1]no…

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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) 4.50 9.94 -43.3 2 3 1 34 335.899 5 ↓

Analogs

12499552
12499552

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Popular Name: 7-(4-methylbenzoyl)amino-N,N-bis[7-(4-methylbenzoyl)amino-9-azabicyclo[3.3.1]non-5-yl]-9-azabicyclo[ 7-(4-methylbenzoyl)amino-N,N-bis…

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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) 4.12 -0.54 -11.39 1 5 0 52 385.552 4 ↓

Analogs

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Popular Name: 4-methyl-N-[9-(methylthiocarbamoyl)-9-azabicyclo[3.3.1]non-7-yl]-benzamide 4-methyl-N-[9-(methylthiocarbamo…

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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) 3.07 -2.85 -19.12 2 4 0 44 331.485 4 ↓

Analogs

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Popular Name: N-[9-(isobutylthiocarbamoyl)-9-azabicyclo[3.3.1]non-7-yl]-4-methyl-benzamide N-[9-(isobutylthiocarbamoyl)-9-a…

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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) 4.20 -2.21 -18.02 2 4 0 44 373.566 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[9-(isobutylthiocarbamoyl)-9-azabicyclo[3.3.1]non-7-yl]-2-methyl-benzamide N-[9-(isobutylthiocarbamoyl)-9-a…

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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) 4.15 -2.26 -21.78 2 4 0 44 373.566 6 ↓

Analogs

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Popular Name: N-[9-(2-methoxyethylthiocarbamoyl)-9-azabicyclo[3.3.1]non-7-yl]-4-methyl-benzamide N-[9-(2-methoxyethylthiocarbamoy…

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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) 3.06 -3.42 -19.7 2 5 0 53 375.538 7 ↓

Parameters Provided:

ring.id = 248910
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 = 248910 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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