UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-propyl-4-(3-pyridylsulfamoyl)pyrrole-2-carboxylic 1-propyl-4-(3-pyridylsulfamoyl)p…

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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) 1.23 4.18 -56.63 1 7 -1 104 308.339 6 ↓
Mid Mid (pH 6-8) 1.23 4.69 -83.4 1 7 -1 107 308.339 6 ↓
Mid Mid (pH 6-8) 1.23 4.2 -106.57 0 7 -2 106 307.331 6 ↓

Analogs

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Popular Name: 1-ethyl-4-(3-pyridylsulfamoyl)pyrrole-2-carboxylic 1-ethyl-4-(3-pyridylsulfamoyl)py…

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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) 0.73 3.42 -56.35 1 7 -1 104 294.312 5 ↓
Mid Mid (pH 6-8) 0.73 3.93 -82.97 1 7 -1 107 294.312 5 ↓
Mid Mid (pH 6-8) 0.73 3.44 -106.07 0 7 -2 106 293.304 5 ↓

Analogs

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Popular Name: 1-isopropyl-4-(3-pyridylsulfamoyl)pyrrole-2-carboxylic 1-isopropyl-4-(3-pyridylsulfamoy…

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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) 1.09 3.98 -56.4 1 7 -1 104 308.339 5 ↓
Mid Mid (pH 6-8) 1.09 4.49 -83.57 1 7 -1 107 308.339 5 ↓
Mid Mid (pH 6-8) 1.09 4 -106.85 0 7 -2 106 307.331 5 ↓

Analogs

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Popular Name: 4-[(2-chloro-3-pyridyl)sulfamoyl]-1-ethyl-pyrrole-2-carboxylic 4-[(2-chloro-3-pyridyl)sulfamoyl…

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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) 1.53 3.96 -101.92 0 7 -2 106 327.749 5 ↓
Mid Mid (pH 6-8) 1.53 3.95 -50.86 1 7 -1 104 328.757 5 ↓

Analogs

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Popular Name: 5-(1H-pyrrol-3-ylsulfonylamino)pyridine-3-carboxylic 5-(1H-pyrrol-3-ylsulfonylamino)p…

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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 1.01 -107.41 1 7 -2 117 265.25 4 ↓
Mid Mid (pH 6-8) 0.03 1.47 -55.43 2 7 -1 118 266.258 4 ↓

Analogs

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Popular Name: 5-[(1-methylpyrrol-3-yl)sulfonylamino]pyridine-3-carboxylic 5-[(1-methylpyrrol-3-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) 0.10 2.78 -109.01 0 7 -2 106 279.277 4 ↓
Mid Mid (pH 6-8) 0.10 3.24 -56.29 1 7 -1 107 280.285 4 ↓

Parameters Provided:

ring.id = 113191
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 = 113191 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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