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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: N-(3,5-dimethoxyphenyl)-4-[[(3,4-dioxo-2-pyrrolidin-1-yl-cyclobuten-1-yl)amino]methyl]cyclohexanecar N-(3,5-dimethoxyphenyl)-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) -0.28 2.8 -32.82 3 8 1 103 442.536 6 ↓
Hi High (pH 8-9.5) -0.28 3.59 -27.97 2 8 0 106 441.528 6 ↓
Mid Mid (pH 6-8) -0.28 3.85 -98.17 4 8 2 105 443.544 6 ↓

Analogs

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Popular Name: 4-[[(3,4-dioxo-2-pyrrolidin-1-yl-cyclobuten-1-yl)amino]methyl]-N-(4-ethylphenyl)cyclohexanecarboxami 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) 0.59 5.79 -35.44 3 6 1 85 410.538 5 ↓
Hi High (pH 8-9.5) 0.59 6.42 -24.7 2 6 0 88 409.53 5 ↓
Mid Mid (pH 6-8) 0.59 6.68 -95.96 4 6 2 87 411.546 5 ↓

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-4-[[(3,4-dioxo-2-pyrrolidin-1-yl-cyclobuten-1-yl)amino]methyl]cyclohex N-(3-chloro-4-methoxy-phenyl)-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) 0.34 4.2 -36.16 3 7 1 94 446.955 5 ↓
Hi High (pH 8-9.5) 0.34 4.97 -22.43 2 7 0 97 445.947 5 ↓
Mid Mid (pH 6-8) 0.34 5.24 -108.98 4 7 2 96 447.963 5 ↓

Analogs

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Popular Name: 4-[[(3,4-dioxo-2-pyrrolidin-1-yl-cyclobuten-1-yl)amino]methyl]-N-(2-methoxy-5-methyl-phenyl)cyclohex 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) 0.11 4.29 -30.29 3 7 1 94 426.537 5 ↓
Hi High (pH 8-9.5) 0.11 5.08 -24.29 2 7 0 97 425.529 5 ↓
Mid Mid (pH 6-8) 0.11 5.34 -96.18 4 7 2 96 427.545 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3,4-dioxo-2-pyrrolidin-1-yl-cyclobuten-1-yl)amino]methyl]-N-(2-methoxyphenyl)cyclohexanecarboxa 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) -0.32 3.63 -33.74 3 7 1 94 412.51 5 ↓
Hi High (pH 8-9.5) -0.32 4.55 -21.75 2 7 0 97 411.502 5 ↓
Mid Mid (pH 6-8) -0.32 4.83 -106.32 4 7 2 96 413.518 5 ↓

Parameters Provided:

ring.id = 57166
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 = 57166 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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