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

Analogs

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Popular Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[[(3,4-dioxo-2-pyrrolidin-1-yl-cyclobuten-1-yl)amino]methyl]cyclo N-[2-(3,4-dimethoxyphenyl)ethyl]…

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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) -0.57 4.47 -41.1 3 8 1 103 470.59 8 ↓
Hi High (pH 8-9.5) 3.01 6.46 -20.9 2 8 0 100 469.582 9 ↓
Mid Mid (pH 6-8) -0.57 4.67 -33.66 2 8 0 106 469.582 8 ↓

Analogs

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Popular Name: 4-[[(3,4-dioxo-2-pyrrolidin-1-yl-cyclobuten-1-yl)amino]methyl]-N-[2-(p-tolyl)ethyl]cyclohexanecarbox 4-[[(3,4-dioxo-2-pyrrolidin-1-yl…

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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) 0.23 5.95 -36.36 3 6 1 85 424.565 6 ↓
Mid Mid (pH 6-8) 0.23 6.98 -107.87 4 6 2 87 425.573 6 ↓
Mid Mid (pH 6-8) 0.23 5.99 -25.33 2 6 0 88 423.557 6 ↓

Analogs

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Popular Name: N-[(1S)-1-benzylpropyl]-4-[[(3,4-dioxo-2-pyrrolidin-1-yl-cyclobuten-1-yl)amino]methyl]cyclohexanecar N-[(1S)-1-benzylpropyl]-4-[[(3,4…

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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) 0.65 6.88 -35.43 3 6 1 85 438.592 7 ↓
Hi High (pH 8-9.5) 4.23 8.87 -15.83 2 6 0 82 437.584 8 ↓
Mid Mid (pH 6-8) 0.65 7.08 -28.68 2 6 0 88 437.584 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-benzylpropyl]-4-[[(3,4-dioxo-2-pyrrolidin-1-yl-cyclobuten-1-yl)amino]methyl]cyclohexanecar N-[(1R)-1-benzylpropyl]-4-[[(3,4…

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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) 0.65 6.88 -35.58 3 6 1 85 438.592 7 ↓
Hi High (pH 8-9.5) 4.23 8.87 -15.74 2 6 0 82 437.584 8 ↓
Mid Mid (pH 6-8) 0.65 7.09 -28.47 2 6 0 88 437.584 7 ↓

Parameters Provided:

ring.id = 57188
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 = 57188 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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