UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-butyl-N-[3-(methoxymethyl)phenyl]-1,3-dioxo-isoindoline-5-carboxamide 2-butyl-N-[3-(methoxymethyl)phen…

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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) 3.76 8.01 -17.97 1 6 0 77 366.417 7 ↓

Analogs

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Popular Name: 2-butyl-1,3-dioxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]isoindoline-5-carboxamide 2-butyl-1,3-dioxo-N-[2-(2,2,2-tr…

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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) 3.90 8.38 -12.93 2 7 0 97 447.413 8 ↓

Analogs

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Popular Name: N-(5-tert-butyl-2-hydroxy-phenyl)-1,3-dioxo-2-propyl-isoindoline-5-carboxamide N-(5-tert-butyl-2-hydroxy-phenyl…

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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) 4.68 7.09 -17.48 2 6 0 88 380.444 5 ↓

Analogs

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Popular Name: [2-[(2-isopentyl-1,3-dioxo-isoindoline-5-carbonyl)amino]-5-nitro-phenyl] [2-[(2-isopentyl-1,3-dioxo-isoin…

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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) 3.48 10.82 -18.73 1 10 0 140 439.424 8 ↓

Analogs

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Popular Name: 2-butyl-N-(4-methylsulfanylphenyl)-1,3-dioxo-isoindoline-5-carboxamide 2-butyl-N-(4-methylsulfanylpheny…

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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) 4.26 0.09 -15.48 1 5 0 68 368.458 6 ↓

Analogs

23655066
23655066

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Popular Name: N-(3-acetamidophenyl)-2-methyl-1,3-dioxo-isoindoline-5-carboxamide N-(3-acetamidophenyl)-2-methyl-1…

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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) 1.59 4.69 -18.22 2 7 0 97 337.335 3 ↓

Analogs

1146932
1146932
23655460
23655460

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Popular Name: N-[4-(difluoromethoxy)phenyl]-2-methyl-1,3-dioxo-isoindoline-5-carboxamide N-[4-(difluoromethoxy)phenyl]-2-…

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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) 3.00 5.36 -18.5 1 6 0 77 346.289 4 ↓

Analogs

26561923
26561923

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Popular Name: N-(4,5-dimethoxy-2-methyl-phenyl)-2-methyl-1,3-dioxo-isoindoline-5-carboxamide N-(4,5-dimethoxy-2-methyl-phenyl…

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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) 2.42 5.9 -18.34 1 7 0 87 354.362 4 ↓

Analogs

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Popular Name: N-(3-isopropylphenyl)-2-methyl-1,3-dioxo-isoindoline-5-carboxamide N-(3-isopropylphenyl)-2-methyl-1…

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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) 3.88 7.68 -13.73 1 5 0 68 322.364 3 ↓

Analogs

15076640
15076640
21022821
21022821
8206372
8206372
8906134
8906134

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Popular Name: 2-methyl-N-(m-tolyl)-1,3-dioxo-isoindoline-5-carboxamide 2-methyl-N-(m-tolyl)-1,3-dioxo-i…

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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) 2.82 6.45 -14.48 1 5 0 68 294.31 2 ↓

Analogs

23655446
23655446
6339365
6339365
7609748
7609748

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Popular Name: 2-methyl-N-(o-tolyl)-1,3-dioxo-isoindoline-5-carboxamide 2-methyl-N-(o-tolyl)-1,3-dioxo-i…

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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) 2.79 6.62 -14.33 1 5 0 68 294.31 2 ↓

Analogs

6558153
6558153
7407043
7407043

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Popular Name: 2-(3-methoxypropyl)-1,3-dioxo-N-[4-(trifluoromethoxy)phenyl]isoindoline-5-carboxamide 2-(3-methoxypropyl)-1,3-dioxo-N-…

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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) 3.62 6.4 -15.57 1 7 0 87 422.359 8 ↓

Analogs

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Popular Name: N-(2,4-dibromophenyl)-2-methyl-1,3-dioxo-isoindoline-5-carboxamide N-(2,4-dibromophenyl)-2-methyl-1…

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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) 3.94 7.17 -10.54 1 5 0 68 438.075 2 ↓

Analogs

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Popular Name: N-[5-chloro-2-(dimethylamino)phenyl]-2-methyl-1,3-dioxo-isoindoline-5-carboxamide N-[5-chloro-2-(dimethylamino)phe…

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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) 3.10 7.52 -13.48 1 6 0 71 357.797 3 ↓

Analogs

8381225
8381225

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Popular Name: N-ethyl-2-methyl-1,3-dioxo-N-phenyl-isoindoline-5-carboxamide N-ethyl-2-methyl-1,3-dioxo-N-phe…

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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) 3.01 7.43 -13.17 0 5 0 59 308.337 3 ↓

Analogs

55639426
55639426

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Popular Name: 2-methyl-N-[4-[(1S)-1-methylpropoxy]phenyl]-1,3-dioxo-isoindoline-5-carboxamide 2-methyl-N-[4-[(1S)-1-methylprop…

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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) 3.69 7.48 -14.91 1 6 0 77 352.39 5 ↓

Analogs

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Popular Name: N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxo-isoindoline-5-carboxamide N-[2-ethoxy-5-(trifluoromethyl)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) 3.65 7.14 -14.59 1 6 0 77 392.333 5 ↓

Analogs

23654977
23654977

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Popular Name: N-(2-bromophenyl)-2-methyl-1,3-dioxo-isoindoline-5-carboxamide N-(2-bromophenyl)-2-methyl-1,3-d…

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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) 3.15 6.55 -11.22 1 5 0 68 359.179 2 ↓

Analogs

23655555
23655555

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Popular Name: N-(2-acetylphenyl)-2-methyl-1,3-dioxo-isoindoline-5-carboxamide N-(2-acetylphenyl)-2-methyl-1,3-…

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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) 2.24 6.65 -13.48 1 6 0 85 322.32 3 ↓

Parameters Provided:

ring.id = 11804
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 = 11804 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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