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

Analogs

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Popular Name: [4-(difluoromethoxy)-3-methoxy-phenyl]methyl [4-(difluoromethoxy)-3-methoxy-p…

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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) 4.12 9.46 -13.83 0 7 0 84 417.364 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(difluoromethoxy)-3-methoxy-phenyl]methyl [4-(difluoromethoxy)-3-methoxy-p…

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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) 3.47 7.89 -13.99 0 7 0 84 391.326 7 ↓

Analogs

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Popular Name: 2-isobutyl-1,3-diketo-isoindoline-5-carboxylic-acid-(2-chlorobenzyl)-ester 2-isobutyl-1,3-diketo-isoindolin…

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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) 5.02 2.48 -10.53 0 5 0 65 371.82 6 ↓

Analogs

1962659
1962659
1962660
1962660

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Popular Name: 2-isobutyl-1,3-diketo-isoindoline-5-carboxylic-acid-(3-bromobenzyl)-ester 2-isobutyl-1,3-diketo-isoindolin…

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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) 5.17 1.82 -9.18 0 5 0 65 416.271 6 ↓

Analogs

1962575
1962575
1962576
1962576

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Popular Name: 1,3-diketo-2-(3-methoxypropyl)isoindoline-5-carboxylic-acid-(4-tert-butylbenzyl)-ester 1,3-diketo-2-(3-methoxypropyl)is…

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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) 5.23 2.82 -10.38 0 6 0 74 409.482 9 ↓

Analogs

1961947
1961947

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Popular Name: 2-isobutyl-1,3-diketo-isoindoline-5-carboxylic-acid-benzyl-ester 2-isobutyl-1,3-diketo-isoindolin…

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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) 4.39 2.59 -8.85 0 5 0 65 337.375 6 ↓

Analogs

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Popular Name: 1,3-diketo-2-[(1R)-1-methylpropyl]isoindoline-5-carboxylic-acid-(4-fluorobenzyl)-ester 1,3-diketo-2-[(1R)-1-methylpropy…

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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) 4.67 3.8 -9.71 0 5 0 65 355.365 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-diketo-2-[(1S)-1-methylpropyl]isoindoline-5-carboxylic-acid-(4-fluorobenzyl)-ester 1,3-diketo-2-[(1S)-1-methylpropy…

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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) 4.67 3.8 -9.71 0 5 0 65 355.365 6 ↓

Analogs

1961961
1961961

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Popular Name: 2-isopropyl-1,3-diketo-isoindoline-5-carboxylic-acid-(2-chlorobenzyl)-ester 2-isopropyl-1,3-diketo-isoindoli…

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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) 4.63 2.4 -10.77 0 5 0 65 357.793 5 ↓

Analogs

1961952
1961952

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Popular Name: 1,3-diketo-2-(3-methoxypropyl)isoindoline-5-carboxylic-acid-(4-methylbenzyl)-ester 1,3-diketo-2-(3-methoxypropyl)is…

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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) 3.97 1.98 -10.75 0 6 0 74 367.401 8 ↓

Analogs

1961961
1961961
1962506
1962506
1962507
1962507

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3-diketo-2-(3-methoxypropyl)isoindoline-5-carboxylic-acid-(4-chlorobenzyl)-ester 1,3-diketo-2-(3-methoxypropyl)is…

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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) 4.20 1.51 -10.97 0 6 0 74 387.819 8 ↓

Parameters Provided:

ring.id = 133112
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 = 133112 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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