UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-(3-oxopiperazin-1-yl)sulfonyl-1-propyl-pyrrole-2-carboxylic 4-(3-oxopiperazin-1-yl)sulfonyl-…

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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) 0.32 2.05 -61.21 1 8 -1 112 314.343 5 ↓

Analogs

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Popular Name: 1-ethyl-4-(3-oxopiperazin-1-yl)sulfonyl-pyrrole-2-carboxylic 1-ethyl-4-(3-oxopiperazin-1-yl)s…

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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 1.3 -60.86 1 8 -1 112 300.316 4 ↓

Analogs

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Popular Name: 1-isopropyl-4-(3-oxopiperazin-1-yl)sulfonyl-pyrrole-2-carboxylic 1-isopropyl-4-(3-oxopiperazin-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) 0.18 1.85 -61.02 1 8 -1 112 314.343 4 ↓

Analogs

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Popular Name: 4-(1H-pyrrol-3-ylsulfonyl)piperazin-2-one 4-(1H-pyrrol-3-ylsulfonyl)pipera…

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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) -0.44 -1.69 -14.37 2 6 0 82 229.261 2 ↓

Analogs

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Popular Name: 4-(1-methylpyrrol-3-yl)sulfonylpiperazin-2-one 4-(1-methylpyrrol-3-yl)sulfonylp…

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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) -0.37 0.08 -14.38 1 6 0 71 243.288 2 ↓

Analogs

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Popular Name: 4-[(2R)-2-isopropyl-3-oxo-piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide 4-[(2R)-2-isopropyl-3-oxo-pipera…

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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) -0.70 -1.49 -17.32 3 8 0 115 328.394 4 ↓

Analogs

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Popular Name: 4-[(2S)-2-isopropyl-3-oxo-piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide 4-[(2S)-2-isopropyl-3-oxo-pipera…

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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) -0.70 -1.1 -16.66 3 8 0 115 328.394 4 ↓

Parameters Provided:

ring.id = 113213
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 = 113213 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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