UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34990071
34990071
36788378
36788378
36796730
36796730
36796731
36796731
37003721
37003721

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Popular Name: 4-amino-2-cyclopropyl-2,3-dihydro-1H-isoindole-1,3-dione 4-amino-2-cyclopropyl-2,3-dihydr…

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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) 1.01 3.34 -9.44 2 4 0 65 202.213 1 ↓

Analogs

34852056
34852056
34853306
34853306
21124979
21124979

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Popular Name: 2-cyclopropyl-1,3-dioxo-isoindoline-5-carboxamide 2-cyclopropyl-1,3-dioxo-isoindol…

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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) 0.69 2.15 -14.2 2 5 0 82 230.223 2 ↓

Analogs

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Popular Name: 2-cyclopropyl-1,3-dioxo-N-prop-2-ynyl-isoindoline-5-carboxamide 2-cyclopropyl-1,3-dioxo-N-prop-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) 1.22 4.98 -12.55 1 5 0 68 268.272 3 ↓

Analogs

34852056
34852056
34853306
34853306
21124979
21124979

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Popular Name: 2-cyclopropyl-N,N-dimethyl-1,3-dioxo-isoindoline-5-carboxamide 2-cyclopropyl-N,N-dimethyl-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) 0.83 5.21 -9.76 0 5 0 59 258.277 2 ↓

Analogs

21124979
21124979
8034828
8034828

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Popular Name: 2-cyclopropyl-N-ethyl-1,3-dioxo-isoindoline-5-carboxamide 2-cyclopropyl-N-ethyl-1,3-dioxo-…

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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) 1.44 4.5 -13.29 1 5 0 68 258.277 3 ↓

Analogs

21124979
21124979
8034828
8034828

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Popular Name: 2-cyclopropyl-N-isopropyl-1,3-dioxo-isoindoline-5-carboxamide 2-cyclopropyl-N-isopropyl-1,3-di…

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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) 1.73 5.3 -13.32 1 5 0 68 272.304 3 ↓

Analogs

34852056
34852056
34853306
34853306
21124979
21124979

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Popular Name: 2-cyclopropyl-1,3-dioxo-N-propyl-isoindoline-5-carboxamide 2-cyclopropyl-1,3-dioxo-N-propyl…

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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) 1.94 5.26 -13.26 1 5 0 68 272.304 4 ↓

Analogs

7345882
7345882

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Popular Name: N-allyl-2-cyclopropyl-1,3-dioxo-isoindoline-5-carboxamide N-allyl-2-cyclopropyl-1,3-dioxo-…

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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) 1.70 5.04 -12.86 1 5 0 68 270.288 4 ↓

Analogs

21124979
21124979
8034828
8034828

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Popular Name: 2-cyclopropyl-N-methyl-1,3-dioxo-isoindoline-5-carboxamide 2-cyclopropyl-N-methyl-1,3-dioxo…

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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) 1.06 3.66 -14.07 1 5 0 68 244.25 2 ↓

Analogs

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Popular Name: 2-cyclopropyl-N-methoxy-1,3-dioxo-isoindoline-5-carboxamide 2-cyclopropyl-N-methoxy-1,3-diox…

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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) 1.02 4.64 -16.51 1 6 0 77 260.249 3 ↓

Analogs

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Popular Name: 2-cyclopropyl-N-methoxy-N-methyl-1,3-dioxo-isoindoline-5-carboxamide 2-cyclopropyl-N-methoxy-N-methyl…

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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) 1.26 5.31 -8.14 0 6 0 69 274.276 3 ↓

Analogs

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Popular Name: prop-2-ynyl prop-2-ynyl

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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) 2.20 7.47 -9.47 0 5 0 65 269.256 4 ↓

Analogs

1962575
1962575
1962576
1962576

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Popular Name: propyl propyl

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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) 2.92 7.74 -8.88 0 5 0 65 273.288 5 ↓

Analogs

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Popular Name: allyl allyl

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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) 2.68 7.51 -8.85 0 5 0 65 271.272 5 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.04 6.01 -9.49 0 5 0 65 245.234 3 ↓

Analogs

1962575
1962575
1962576
1962576

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Popular Name: ethyl 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) 2.41 6.94 -9.1 0 5 0 65 259.261 4 ↓

Analogs

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Popular Name: isopropyl isopropyl

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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) 2.78 7.65 -9.07 0 5 0 65 273.288 4 ↓

Analogs

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Popular Name: 2-cyclopropyl-N-ethoxy-1,3-dioxo-isoindoline-5-carboxamide 2-cyclopropyl-N-ethoxy-1,3-dioxo…

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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) 1.39 5.58 -16.32 1 6 0 77 274.276 4 ↓

Parameters Provided:

ring.id = 15923
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 = 15923 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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