UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43413028
43413028
37791154
37791154

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Popular Name: (5R,7S)-3-[(2-bromobenzoyl)amino]adamantane-1-carboxylic (5R,7S)-3-[(2-bromobenzoyl)amino…

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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) 3.58 8.95 -48.1 1 4 -1 69 377.258 3 ↓
Lo Low (pH 4.5-6) 3.58 6.98 -9.81 2 4 0 66 378.266 3 ↓

Analogs

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Popular Name: N-(1-adamantyl)-4-(2-amino-2-oxo-ethoxy)-3-chloro-5-methoxy-benzamide N-(1-adamantyl)-4-(2-amino-2-oxo…

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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) 3.24 -3.18 -14.77 3 6 0 91 392.883 6 ↓

Analogs

2790680
2790680

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Popular Name: 2,4-dichloro-N-[(3R,5S)-3,5-dimethyl-1-adamantyl]-5-(dimethylsulfamoyl)benzamide 2,4-dichloro-N-[(3R,5S)-3,5-dime…

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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) 4.70 7.61 -10.2 1 5 0 66 459.439 4 ↓

Analogs

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Popular Name: N-(1-adamantyl)-3,5-dichloro-4-methoxy-benzamide N-(1-adamantyl)-3,5-dichloro-4-m…

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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) 5.32 8.45 -6.5 1 3 0 38 354.277 3 ↓

Analogs

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Popular Name: N-(1-adamantyl)-2,3,5,6-tetrafluoro-4-methoxy-benzamide N-(1-adamantyl)-2,3,5,6-tetraflu…

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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) 4.48 7.43 -6.67 1 3 0 38 357.347 3 ↓

Analogs

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Popular Name: N-(1-adamantyl)-2-amino-4-fluoro-benzamide N-(1-adamantyl)-2-amino-4-fluoro…

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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) 3.63 6.21 -5.57 3 3 0 55 288.366 2 ↓

Analogs

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Popular Name: N-(1-adamantyl)-2-[2-(isopropylamino)-2-oxo-ethyl]sulfanyl-benzamide N-(1-adamantyl)-2-[2-(isopropyla…

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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 9.01 -17.4 2 4 0 58 386.561 6 ↓

Analogs

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Popular Name: N-(1-adamantyl)-2-[2-(2-methoxyethylamino)-2-oxo-ethyl]sulfanyl-benzamide N-(1-adamantyl)-2-[2-(2-methoxye…

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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) 3.53 7.28 -17.58 2 5 0 67 402.56 8 ↓

Analogs

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Popular Name: N-(1-adamantyl)-2-chloro-5-[isopropyl(methyl)sulfamoyl]benzamide N-(1-adamantyl)-2-chloro-5-[isop…

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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) 4.65 7.83 -10.98 1 5 0 66 424.994 5 ↓

Parameters Provided:

ring.id = 6674
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 = 6674 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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