UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-(cyclohexylsulfamoyl)-1-propyl-pyrrole-2-carboxylic 4-(cyclohexylsulfamoyl)-1-propyl…

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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) 2.51 5.5 -53.02 1 6 -1 91 313.399 6 ↓

Analogs

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Popular Name: 4-(cyclohexylsulfamoyl)-1-ethyl-pyrrole-2-carboxylic 4-(cyclohexylsulfamoyl)-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) 2.01 4.74 -52.67 1 6 -1 91 299.372 5 ↓

Analogs

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Popular Name: 4-(cyclohexylsulfamoyl)-1-isopropyl-pyrrole-2-carboxylic 4-(cyclohexylsulfamoyl)-1-isopro…

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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) 2.37 5.29 -52.83 1 6 -1 91 313.399 5 ↓

Analogs

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Popular Name: 1-ethyl-4-[(4-methylcyclohexyl)sulfamoyl]pyrrole-2-carboxylic 1-ethyl-4-[(4-methylcyclohexyl)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) 1.78 5.57 -51.7 1 6 -1 91 313.399 5 ↓

Analogs

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

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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) 0.39 1.4 -56.55 2 7 -1 111 315.371 5 ↓

Analogs

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Popular Name: 4-[cyclohexyl(methyl)sulfamoyl]-1-ethyl-pyrrole-2-carboxylic 4-[cyclohexyl(methyl)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) 2.25 6.53 -51.75 0 6 -1 82 313.399 5 ↓

Analogs

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Popular Name: 1-ethyl-4-[[(1R,2S)-2-methylcyclohexyl]sulfamoyl]pyrrole-2-carboxylic 1-ethyl-4-[[(1R,2S)-2-methylcycl…

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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) 2.25 5.67 -51.84 1 6 -1 91 313.399 5 ↓

Analogs

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Popular Name: 1-ethyl-4-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]pyrrole-2-carboxylic 1-ethyl-4-[[(1S,2S)-2-methylcycl…

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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) 2.25 5.52 -52.99 1 6 -1 91 313.399 5 ↓

Analogs

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Popular Name: 1-ethyl-4-[[(1R,2R)-2-methylcyclohexyl]sulfamoyl]pyrrole-2-carboxylic 1-ethyl-4-[[(1R,2R)-2-methylcycl…

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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) 2.25 5.42 -52.71 1 6 -1 91 313.399 5 ↓

Analogs

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Popular Name: 1-ethyl-4-[[(1S,2R)-2-methylcyclohexyl]sulfamoyl]pyrrole-2-carboxylic 1-ethyl-4-[[(1S,2R)-2-methylcycl…

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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) 2.25 5.76 -51.9 1 6 -1 91 313.399 5 ↓

Analogs

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Popular Name: 4-[[(1S,2R,4R)-2,4-dimethylcyclohexyl]sulfamoyl]-1H-pyrrole-2-carboxylic 4-[[(1S,2R,4R)-2,4-dimethylcyclo…

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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) 1.81 3.87 -49.71 2 6 -1 102 299.372 4 ↓

Analogs

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Popular Name: 4-[[(1S,2R,4S)-2,4-dimethylcyclohexyl]sulfamoyl]-1H-pyrrole-2-carboxylic 4-[[(1S,2R,4S)-2,4-dimethylcyclo…

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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) 1.81 3.39 -50.52 2 6 -1 102 299.372 4 ↓

Analogs

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Popular Name: 4-[[(1R,2R,4R)-2,4-dimethylcyclohexyl]sulfamoyl]-1H-pyrrole-2-carboxylic 4-[[(1R,2R,4R)-2,4-dimethylcyclo…

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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) 1.81 3.55 -50.84 2 6 -1 102 299.372 4 ↓

Analogs

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Popular Name: 4-[[(1R,2R,4S)-2,4-dimethylcyclohexyl]sulfamoyl]-1H-pyrrole-2-carboxylic 4-[[(1R,2R,4S)-2,4-dimethylcyclo…

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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) 1.81 3.31 -50.8 2 6 -1 102 299.372 4 ↓

Analogs

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Popular Name: 4-[[(1S,2R,4R)-2,4-dimethylcyclohexyl]sulfamoyl]-1-methyl-pyrrole-2-carboxylic 4-[[(1S,2R,4R)-2,4-dimethylcyclo…

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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) 1.88 5.49 -50.85 1 6 -1 91 313.399 4 ↓

Analogs

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Popular Name: 4-[[(1S,2R,4S)-2,4-dimethylcyclohexyl]sulfamoyl]-1-methyl-pyrrole-2-carboxylic 4-[[(1S,2R,4S)-2,4-dimethylcyclo…

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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) 1.88 5.02 -51.79 1 6 -1 91 313.399 4 ↓

Analogs

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Popular Name: 4-[[(1R,2R,4R)-2,4-dimethylcyclohexyl]sulfamoyl]-1-methyl-pyrrole-2-carboxylic 4-[[(1R,2R,4R)-2,4-dimethylcyclo…

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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) 1.88 5.16 -51.97 1 6 -1 91 313.399 4 ↓

Analogs

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Popular Name: 4-[[(1R,2R,4S)-2,4-dimethylcyclohexyl]sulfamoyl]-1-methyl-pyrrole-2-carboxylic 4-[[(1R,2R,4S)-2,4-dimethylcyclo…

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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) 1.88 4.94 -52 1 6 -1 91 313.399 4 ↓

Analogs

53117581
53117581

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Popular Name: 1-methyl-4-[[(1S,3R)-3-methylcyclohexyl]sulfamoyl]pyrrole-2-carboxylic 1-methyl-4-[[(1S,3R)-3-methylcyc…

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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) 1.64 4.56 -51.84 1 6 -1 91 299.372 4 ↓

Analogs

53117581
53117581

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Popular Name: 1-methyl-4-[[(1S,3S)-3-methylcyclohexyl]sulfamoyl]pyrrole-2-carboxylic 1-methyl-4-[[(1S,3S)-3-methylcyc…

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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) 1.64 4.8 -50.66 1 6 -1 91 299.372 4 ↓

Analogs

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Popular Name: 1-methyl-4-[[(1R,3R)-3-methylcyclohexyl]sulfamoyl]pyrrole-2-carboxylic 1-methyl-4-[[(1R,3R)-3-methylcyc…

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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) 1.64 4.72 -50.86 1 6 -1 91 299.372 4 ↓

Analogs

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Popular Name: 1-methyl-4-[[(1R,3S)-3-methylcyclohexyl]sulfamoyl]pyrrole-2-carboxylic 1-methyl-4-[[(1R,3S)-3-methylcyc…

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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) 1.64 4.47 -51.7 1 6 -1 91 299.372 4 ↓

Analogs

36133303
36133303
36133302
36133302
20213505
20213505
20213512
20213512

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Popular Name: 4-[cyclohexyl(2-hydroxyethyl)sulfamoyl]-1H-pyrrole-2-carboxylic 4-[cyclohexyl(2-hydroxyethyl)sul…

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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) 1.18 1.67 -53.25 2 7 -1 114 315.371 6 ↓

Analogs

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Popular Name: 4-[(4-propylcyclohexyl)sulfamoyl]-1H-pyrrole-2-carboxylic 4-[(4-propylcyclohexyl)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) 2.58 4.49 -49.72 2 6 -1 102 313.399 6 ↓

Parameters Provided:

ring.id = 113100
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 = 113100 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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