UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: 2-(N-ethyl-3-methyl-anilino)-1-(1-methylpyrrol-3-yl)ethanone 2-(N-ethyl-3-methyl-anilino)-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) 2.90 10.31 -9.83 0 3 0 25 256.349 5 ↓

Analogs

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Popular Name: 2-(N-ethyl-3-methyl-anilino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone 2-(N-ethyl-3-methyl-anilino)-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) 3.34 11.27 -9.33 0 3 0 25 284.403 5 ↓

Analogs

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Popular Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(N-ethyl-3-methyl-anilino)ethanone 1-(2,5-dimethyl-1H-pyrrol-3-yl)-…

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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) 3.27 9.71 -8.71 1 3 0 36 270.376 5 ↓

Analogs

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Popular Name: N-(3-cyanophenyl)-N-[2-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]methanesulfonamide N-(3-cyanophenyl)-N-[2-(1-isopen…

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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) 3.30 10.45 -14.75 0 6 0 83 401.532 8 ↓

Analogs

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Popular Name: 2-[[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]benzonitrile 2-[[2-oxo-2-(1,2,5-trimethylpyrr…

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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) 2.00 8.17 -13.17 1 4 0 58 267.332 4 ↓

Analogs

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Popular Name: 3-[[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]benzonitrile 3-[[2-oxo-2-(1,2,5-trimethylpyrr…

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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) 2.03 8.14 -10.78 1 4 0 58 267.332 4 ↓

Analogs

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Popular Name: 4-[[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]benzonitrile 4-[[2-oxo-2-(1,2,5-trimethylpyrr…

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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) 2.05 8.16 -10.3 1 4 0 58 267.332 4 ↓

Analogs

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Popular Name: 2-[[2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]amino]benzonitrile 2-[[2-(1-isopropyl-2,5-dimethyl-…

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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) 2.74 9.29 -12.67 1 4 0 58 295.386 5 ↓

Analogs

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Popular Name: 3-[[2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]amino]benzonitrile 3-[[2-(1-isopropyl-2,5-dimethyl-…

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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) 2.77 9.26 -10.22 1 4 0 58 295.386 5 ↓

Analogs

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Popular Name: 4-[[2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]amino]benzonitrile 4-[[2-(1-isopropyl-2,5-dimethyl-…

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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 9.28 -9.73 1 4 0 58 295.386 5 ↓

Analogs

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Popular Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(N-ethyl-2-methyl-anilino)ethanone 1-(2,5-dimethyl-1H-pyrrol-3-yl)-…

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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) 3.25 10.34 -7.7 1 3 0 36 270.376 5 ↓

Analogs

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Popular Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(N-methylanilino)ethanone 1-(2,5-dimethyl-1H-pyrrol-3-yl)-…

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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) 2.47 8.11 -8.87 1 3 0 36 242.322 4 ↓

Analogs

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Popular Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(N-ethylanilino)ethanone 1-(2,5-dimethyl-1H-pyrrol-3-yl)-…

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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) 2.85 9.04 -8.46 1 3 0 36 256.349 5 ↓

Parameters Provided:

ring.id = 11501
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 = 11501 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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