UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-(1-adamantylsulfamoyl)-N-isopropyl-2-methoxy-benzamide 5-(1-adamantylsulfamoyl)-N-isopr…

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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) 4.33 5.99 -13.76 2 6 0 85 406.548 6 ↓

Analogs

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Popular Name: 5-(1-adamantylsulfamoyl)-2-methoxy-N-methyl-benzamide 5-(1-adamantylsulfamoyl)-2-metho…

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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) 3.66 4.34 -14.32 2 6 0 85 378.494 5 ↓

Analogs

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Popular Name: N-(1-adamantyl)-2,5-dimethoxy-N-methyl-benzenesulfonamide N-(1-adamantyl)-2,5-dimethoxy-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 6.4 -11.68 0 5 0 56 365.495 5 ↓

Analogs

4198685
4198685
5152252
5152252
6780077
6780077
6780078
6780078
13067851
13067851

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Popular Name: 4-(1-adamantylsulfamoyl)benzoic 4-(1-adamantylsulfamoyl)benzoic

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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) 3.84 -4.85 -49.8 1 5 -1 86 334.417 4 ↓

Analogs

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Popular Name: N-(1-adamantyl)-4-hydroxy-benzenesulfonamide N-(1-adamantyl)-4-hydroxy-benzen…

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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) 3.45 2.65 -8.63 2 4 0 66 307.415 3 ↓
Hi High (pH 8-9.5) 3.45 3.41 -44.59 1 4 -1 69 306.407 3 ↓

Parameters Provided:

ring.id = 201343
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 = 201343 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=201343&filter.purchasability=annotated

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