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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3R)-3-(3,4-dichloroanilino)tetrahydrofuran-2-one (3R)-3-(3,4-dichloroanilino)tetr…

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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) 2.58 5.55 -11.34 1 3 0 38 246.093 2 ↓

Analogs

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Popular Name: (3S)-3-(3,4-dichloroanilino)tetrahydrofuran-2-one (3S)-3-(3,4-dichloroanilino)tetr…

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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) 2.58 5.57 -11.52 1 3 0 38 246.093 2 ↓

Analogs

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Popular Name: N,N-diethylcarbamodithioic-acid-[2-keto-2-(N-[(3S)-2-ketotetrahydrofuran-3-yl]-2,6-dimethyl-anilino) N,N-diethylcarbamodithioic-acid-…

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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) 2.71 1.96 -15.48 0 5 0 49 394.562 8 ↓

Analogs

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Popular Name: N,N-diethylcarbamodithioic-acid-[2-keto-2-(N-[(3R)-2-ketotetrahydrofuran-3-yl]-2,6-dimethyl-anilino) N,N-diethylcarbamodithioic-acid-…

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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) 2.71 1.81 -16.99 0 5 0 49 394.562 8 ↓

Analogs

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Popular Name: 5-amino-2-[methyl-[(3R)-2-oxotetrahydrofuran-3-yl]amino]benzoic 5-amino-2-[methyl-[(3R)-2-oxotet…

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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) -0.03 5.27 -45.89 2 6 -1 96 249.246 3 ↓

Analogs

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Popular Name: 5-amino-2-[methyl-[(3S)-2-oxotetrahydrofuran-3-yl]amino]benzoic 5-amino-2-[methyl-[(3S)-2-oxotet…

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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) -0.03 5.21 -45.21 2 6 -1 96 249.246 3 ↓

Analogs

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Popular Name: 3-amino-4-[methyl-[(3R)-2-oxotetrahydrofuran-3-yl]amino]benzoic 3-amino-4-[methyl-[(3R)-2-oxotet…

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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) 0.20 5.38 -54.93 2 6 -1 96 249.246 3 ↓

Analogs

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Popular Name: 3-amino-4-[methyl-[(3S)-2-oxotetrahydrofuran-3-yl]amino]benzoic 3-amino-4-[methyl-[(3S)-2-oxotet…

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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) 0.20 5.4 -53.5 2 6 -1 96 249.246 3 ↓

Analogs

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Popular Name: 2-(2-amino-N-[(3R)-2-oxotetrahydrofuran-3-yl]anilino)acetic 2-(2-amino-N-[(3R)-2-oxotetrahyd…

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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) -1.36 5.72 -45.41 2 6 -1 96 249.246 4 ↓

Analogs

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Popular Name: 2-(2-amino-N-[(3S)-2-oxotetrahydrofuran-3-yl]anilino)acetic 2-(2-amino-N-[(3S)-2-oxotetrahyd…

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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) -1.36 6 -60.71 2 6 -1 96 249.246 4 ↓

Analogs

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Popular Name: 3-(2-amino-N-[(3R)-2-oxotetrahydrofuran-3-yl]anilino)propanoic 3-(2-amino-N-[(3R)-2-oxotetrahyd…

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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) -0.18 6.44 -50 2 6 -1 96 263.273 5 ↓
Lo Low (pH 4.5-6) -0.18 6.1 -80.77 3 6 0 97 264.281 5 ↓

Analogs

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Popular Name: 3-(2-amino-N-[(3S)-2-oxotetrahydrofuran-3-yl]anilino)propanoic 3-(2-amino-N-[(3S)-2-oxotetrahyd…

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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) -0.18 6.17 -46.58 2 6 -1 96 263.273 5 ↓
Lo Low (pH 4.5-6) -0.18 6.24 -49.5 3 6 0 97 264.281 5 ↓

Analogs

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Popular Name: 3-amino-4-[ethyl-[(3R)-2-oxotetrahydrofuran-3-yl]amino]benzoic 3-amino-4-[ethyl-[(3R)-2-oxotetr…

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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) 0.57 6.1 -55.8 2 6 -1 96 263.273 4 ↓
Lo Low (pH 4.5-6) 0.57 5.96 -75.96 3 6 0 97 264.281 4 ↓

Analogs

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Popular Name: 3-amino-4-[ethyl-[(3S)-2-oxotetrahydrofuran-3-yl]amino]benzoic 3-amino-4-[ethyl-[(3S)-2-oxotetr…

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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) 0.57 6.25 -53.85 2 6 -1 96 263.273 4 ↓
Lo Low (pH 4.5-6) 0.57 6.16 -51.53 3 6 0 97 264.281 4 ↓

Parameters Provided:

ring.id = 197528
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 = 197528 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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