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

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Popular Name: (2R)-N-allyl-3-(2-bromophenyl)-3-oxo-2-pyridin-1-ium-1-yl-propanimidothioic (2R)-N-allyl-3-(2-bromophenyl)-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) -2.64 10.22 -44.17 1 3 1 33 376.299 7 ↓

Analogs

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Popular Name: (2S)-N-allyl-3-(2-bromophenyl)-3-oxo-2-pyridin-1-ium-1-yl-propanimidothioic (2S)-N-allyl-3-(2-bromophenyl)-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) -2.64 10.15 -37.81 1 3 1 33 376.299 7 ↓

Analogs

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Popular Name: (2R)-N-allyl-3-(4-nitrophenyl)-3-oxo-2-pyridin-1-ium-1-yl-propanimidothioic (2R)-N-allyl-3-(4-nitrophenyl)-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) -3.44 10.31 -51.07 1 6 1 79 342.4 8 ↓

Analogs

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Popular Name: (2S)-N-allyl-3-(4-nitrophenyl)-3-oxo-2-pyridin-1-ium-1-yl-propanimidothioic (2S)-N-allyl-3-(4-nitrophenyl)-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) -3.44 10.19 -46.74 1 6 1 79 342.4 8 ↓

Analogs

4542499
4542499

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Popular Name: 2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-1-phenyl-ethanone 2-[4-(1-ethylpropyl)pyridin-1-iu…

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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) -1.17 11.88 -35.37 0 2 1 21 268.38 6 ↓

Analogs

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Popular Name: 1-(3,4-difluorophenyl)-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]ethanone 1-(3,4-difluorophenyl)-2-[4-(1-e…

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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) -0.92 12 -44.81 0 2 1 21 304.36 6 ↓

Analogs

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Popular Name: 2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-1-(2,4,5-trimethylphenyl)ethanone 2-[4-(1-ethylpropyl)pyridin-1-iu…

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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 13.78 -34.18 0 2 1 21 310.461 6 ↓

Analogs

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Popular Name: 1-(2,5-dimethylphenyl)-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]ethanone 1-(2,5-dimethylphenyl)-2-[4-(1-e…

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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) -0.35 13.24 -34.29 0 2 1 21 296.434 6 ↓

Analogs

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Popular Name: 1-(4-ethoxyphenyl)-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]ethanone 1-(4-ethoxyphenyl)-2-[4-(1-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) -0.74 12.12 -36.46 0 3 1 30 312.433 8 ↓

Analogs

4542503
4542503

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Popular Name: 1-(4-chlorophenyl)-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]ethanone 1-(4-chlorophenyl)-2-[4-(1-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) -0.50 12.4 -38.16 0 2 1 21 302.825 6 ↓

Analogs

4542502
4542502

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Popular Name: 2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-1-(4-fluorophenyl)ethanone 2-[4-(1-ethylpropyl)pyridin-1-iu…

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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 11.95 -38.92 0 2 1 21 286.37 6 ↓

Analogs

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Popular Name: 2-(2-aminopyridin-1-ium-1-yl)-1-phenyl-ethanone 2-(2-aminopyridin-1-ium-1-yl)-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) -2.75 0.73 -32.63 2 3 1 46 213.26 3 ↓

Analogs

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Popular Name: N-[1-[2-(4-chlorophenyl)-2-keto-ethyl]pyridin-1-ium-4-yl]acetamide N-[1-[2-(4-chlorophenyl)-2-keto-…

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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 8.05 -42.31 1 4 1 50 289.742 4 ↓
Mid Mid (pH 6-8) 1.73 6.86 -29.39 0 4 0 51 288.734 3 ↓

Analogs

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Popular Name: 3-(aminocarbonyl)-1-[2-(4-bromophenyl)-2-oxoethyl]pyridinium 3-(aminocarbonyl)-1-[2-(4-bromop…

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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 6.03 -46.09 2 4 1 64 320.166 4 ↓

Analogs

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Popular Name: N-[4-[2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]acetyl]-2-methylsulfanyl-phenyl]acetamide N-[4-[2-[4-(1-ethylpropyl)pyridi…

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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 11.94 -39.23 1 4 1 50 371.526 8 ↓

Parameters Provided:

ring.id = 133360
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 = 133360 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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