UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(1-adamantyl)-2-(2-cyanophenoxy)-N-ethyl-acetamide N-(1-adamantyl)-2-(2-cyanophenox…

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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) 4.35 2.62 -18.83 0 4 0 53 338.451 5 ↓

Analogs

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Popular Name: N-(1-adamantyl)-2-(4-cyano-2-ethoxy-phenoxy)-acetamide N-(1-adamantyl)-2-(4-cyano-2-eth…

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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) 3.75 9.42 -16.07 1 5 0 71 354.45 6 ↓

Analogs

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Popular Name: 2-[2-(1-adamantylamino)-2-oxo-ethoxy]-3,5,6-trichloro-benzoic 2-[2-(1-adamantylamino)-2-oxo-et…

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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) 5.42 9.62 -56.8 1 5 -1 78 431.723 5 ↓

Analogs

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Popular Name: 4-[2-(1-adamantylamino)-2-oxo-ethoxy]-3-methoxy-benzoic 4-[2-(1-adamantylamino)-2-oxo-et…

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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 7.73 -57.03 1 6 -1 88 358.414 6 ↓

Analogs

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Popular Name: 4-[2-(1-adamantylamino)-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[2-(1-adamantylamino)-2-oxo-et…

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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) 3.86 8.1 -133 1 7 -2 119 371.389 6 ↓

Analogs

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Popular Name: 4-[2-(1-adamantylamino)-2-oxo-ethoxy]-3,5-dichloro-benzoic 4-[2-(1-adamantylamino)-2-oxo-et…

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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) 5.15 9.18 -46.79 1 5 -1 78 397.278 5 ↓

Analogs

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Popular Name: 2-(1-adamantylcarbamoylmethoxy)benzamide 2-(1-adamantylcarbamoylmethoxy)b…

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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) 3.34 6.14 -22.31 3 5 0 81 328.412 5 ↓

Parameters Provided:

ring.id = 3291
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 = 3291 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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