UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(1-adamantyl)-2-(3,4-dimethoxyphenyl)-N-ethyl-acetamide N-(1-adamantyl)-2-(3,4-dimethoxy…

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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) 4.41 1.62 -12.16 0 4 0 38 357.494 6 ↓

Analogs

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Popular Name: N-(1-adamantyl)-2-(3-aminophenyl)acetamide N-(1-adamantyl)-2-(3-aminophenyl…

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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) 3.20 6.46 -8.86 3 3 0 55 284.403 3 ↓

Analogs

12027815
12027815

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Popular Name: (2R)-N-(1-adamantyl)-2-(4-isobutylphenyl)propanamide (2R)-N-(1-adamantyl)-2-(4-isobut…

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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) 6.25 11.85 -7.16 1 2 0 29 339.523 5 ↓

Analogs

12027812
12027812

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Popular Name: (2S)-N-(1-adamantyl)-2-(4-isobutylphenyl)propanamide (2S)-N-(1-adamantyl)-2-(4-isobut…

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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) 6.25 11.84 -7.24 1 2 0 29 339.523 5 ↓

Analogs

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Popular Name: N-(1-adamantyl)-2-methyl-2-phenyl-propanamide N-(1-adamantyl)-2-methyl-2-pheny…

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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) 5.12 9.53 -7.79 1 2 0 29 297.442 3 ↓

Parameters Provided:

ring.id = 3296
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 = 3296 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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