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

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3,4-dioxo-2-pyrrolidin-1-yl-cyclobuten-1-yl)amino]-N-(4-methylcyclohexyl)propanamide 3-[(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) -1.76 1.46 -33.24 3 6 1 85 334.44 4 ↓
Hi High (pH 8-9.5) -1.76 2.66 -20.61 2 6 0 88 333.432 4 ↓
Mid Mid (pH 6-8) -1.76 2.93 -101.74 4 6 2 87 335.448 4 ↓

Analogs

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Popular Name: N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-3-[(3,4-dioxo-2-pyrrolidin-1-yl-cyclobuten-1-yl)amino]propanam N-[(1S,2R,3R)-2,3-dimethylcycloh…

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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) -1.05 1.79 -33.04 3 6 1 85 348.467 4 ↓
Hi High (pH 8-9.5) -1.05 2.57 -20.96 2 6 0 88 347.459 4 ↓
Mid Mid (pH 6-8) -1.05 2.85 -101.66 4 6 2 87 349.475 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-3-[(3,4-dioxo-2-pyrrolidin-1-yl-cyclobuten-1-yl)amino]propanam N-[(1S,2R,3S)-2,3-dimethylcycloh…

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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) -1.05 2.58 -32.64 3 6 1 85 348.467 4 ↓
Hi High (pH 8-9.5) -1.05 3.37 -20.49 2 6 0 88 347.459 4 ↓
Mid Mid (pH 6-8) -1.05 3.64 -102 4 6 2 87 349.475 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-[(3,4-dioxo-2-pyrrolidin-1-yl-cyclobuten-1-yl)amino]propanam N-[(1R,2R,3R)-2,3-dimethylcycloh…

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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) -1.05 1.96 -32.92 3 6 1 85 348.467 4 ↓
Hi High (pH 8-9.5) -1.05 2.75 -20.96 2 6 0 88 347.459 4 ↓
Mid Mid (pH 6-8) -1.05 3.02 -101.59 4 6 2 87 349.475 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-[(3,4-dioxo-2-pyrrolidin-1-yl-cyclobuten-1-yl)amino]propanam N-[(1R,2R,3S)-2,3-dimethylcycloh…

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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) -1.05 2.18 -33.05 3 6 1 85 348.467 4 ↓
Hi High (pH 8-9.5) -1.05 2.97 -21.02 2 6 0 88 347.459 4 ↓
Mid Mid (pH 6-8) -1.05 3.24 -101.75 4 6 2 87 349.475 4 ↓

Parameters Provided:

ring.id = 63727
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 = 63727 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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