UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-chloro-3-[[4-(4,5-dihydro-3H-pyrrol-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic 4-chloro-3-[[4-(4,5-dihydro-3H-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) 2.62 3.91 -111.92 1 9 -2 147 455.901 6 ↓
Hi High (pH 8-9.5) 1.96 3.29 -95.67 2 9 -1 149 456.909 7 ↓
Mid Mid (pH 6-8) 2.62 3.88 -61.95 2 9 -1 145 456.909 6 ↓

Analogs

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Popular Name: 2-chloro-5-[[4-(4,5-dihydro-3H-pyrrol-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic 2-chloro-5-[[4-(4,5-dihydro-3H-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) 2.28 3.69 -67.57 2 9 -1 145 456.909 6 ↓
Hi High (pH 8-9.5) 1.63 3.01 -103.78 2 9 -1 149 456.909 7 ↓
Mid Mid (pH 6-8) 2.28 3.73 -112.09 1 9 -2 147 455.901 6 ↓

Analogs

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Popular Name: 2,4-dichloro-5-[[4-(4,5-dihydro-3H-pyrrol-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic 2,4-dichloro-5-[[4-(4,5-dihydro-…

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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) 2.88 4.3 -107.53 1 9 -2 147 490.346 6 ↓
Hi High (pH 8-9.5) 2.23 3.69 -93.84 2 9 -1 149 491.354 7 ↓
Mid Mid (pH 6-8) 2.88 4.26 -59.6 2 9 -1 145 491.354 6 ↓

Analogs

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Popular Name: 3-[[4-(4,5-dihydro-3H-pyrrol-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic 3-[[4-(4,5-dihydro-3H-pyrrol-2-y…

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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) 1.99 3.21 -62.72 2 9 -1 145 422.464 6 ↓
Hi High (pH 8-9.5) 1.33 2.61 -102.27 2 9 -1 149 422.464 7 ↓
Mid Mid (pH 6-8) 1.99 3.33 -115.13 1 9 -2 147 421.456 6 ↓

Analogs

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Popular Name: 3-[[4-(4,5-dihydro-3H-pyrrol-2-ylsulfamoyl)phenyl]sulfamoyl]-4-methoxy-benzoic 3-[[4-(4,5-dihydro-3H-pyrrol-2-y…

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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) 1.99 3.05 -64.2 2 10 -1 154 452.49 7 ↓
Hi High (pH 8-9.5) 1.34 2.5 -104.3 2 10 -1 158 452.49 8 ↓
Hi High (pH 8-9.5) 1.99 3.11 -120.79 1 10 -2 156 451.482 7 ↓

Analogs

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Popular Name: 5-[[4-(4,5-dihydro-3H-pyrrol-2-ylsulfamoyl)phenyl]sulfamoyl]-2-hydroxy-benzoic 5-[[4-(4,5-dihydro-3H-pyrrol-2-y…

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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 1.35 -70.96 3 10 -1 165 438.463 6 ↓
Hi High (pH 8-9.5) 1.36 0.69 -107.68 3 10 -1 169 438.463 7 ↓
Hi High (pH 8-9.5) 2.01 1.39 -116.59 2 10 -2 167 437.455 6 ↓

Analogs

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Popular Name: (E)-3-[4-[[4-(4,5-dihydro-3H-pyrrol-2-ylsulfamoyl)phenyl]sulfamoyl]phenyl]prop-2-enoic (E)-3-[4-[[4-(4,5-dihydro-3H-pyr…

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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) 2.07 4.5 -58.83 2 9 -1 145 448.502 7 ↓
Hi High (pH 8-9.5) 1.42 3.85 -94.53 2 9 -1 149 448.502 8 ↓
Hi High (pH 8-9.5) 2.07 4.64 -103.35 1 9 -2 147 447.494 7 ↓

Analogs

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Popular Name: 5-[[4-(4,5-dihydro-3H-pyrrol-2-ylsulfamoyl)phenyl]sulfamoyl]-2-methyl-benzoic 5-[[4-(4,5-dihydro-3H-pyrrol-2-y…

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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 3.96 -60.72 2 9 -1 145 436.491 6 ↓
Hi High (pH 8-9.5) 1.40 3.16 -110.1 2 9 -1 149 436.491 7 ↓
Hi High (pH 8-9.5) 2.05 3.98 -118.69 1 9 -2 147 435.483 6 ↓

Analogs

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Popular Name: 5-[[4-(4,5-dihydro-3H-pyrrol-2-ylsulfamoyl)phenyl]sulfamoyl]-2-fluoro-benzoic 5-[[4-(4,5-dihydro-3H-pyrrol-2-y…

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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) 1.76 3.33 -71.3 2 9 -1 145 440.454 6 ↓
Hi High (pH 8-9.5) 1.11 2.64 -105.42 2 9 -1 149 440.454 7 ↓
Mid Mid (pH 6-8) 1.76 3.37 -113.73 1 9 -2 147 439.446 6 ↓

Analogs

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Popular Name: (E)-3-[3-[[4-(4,5-dihydro-3H-pyrrol-2-ylsulfamoyl)phenyl]sulfamoyl]-4-methoxy-phenyl]prop-2-enoic (E)-3-[3-[[4-(4,5-dihydro-3H-pyr…

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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) 2.06 4.36 -63.29 2 10 -1 154 478.528 8 ↓
Hi High (pH 8-9.5) 1.40 3.72 -99.92 2 10 -1 158 478.528 9 ↓
Hi High (pH 8-9.5) 2.06 4.41 -114.44 1 10 -2 156 477.52 8 ↓

Analogs

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Popular Name: 4-[[4-(4,5-dihydro-3H-pyrrol-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic 4-[[4-(4,5-dihydro-3H-pyrrol-2-y…

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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 3.21 -56.95 2 9 -1 145 422.464 6 ↓
Hi High (pH 8-9.5) 1.36 2.76 -94.38 2 9 -1 149 422.464 7 ↓
Hi High (pH 8-9.5) 2.01 3.35 -103.18 1 9 -2 147 421.456 6 ↓

Analogs

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Popular Name: 3-[4-[[4-(4,5-dihydro-3H-pyrrol-2-ylsulfamoyl)phenyl]sulfamoyl]phenyl]propanoic 3-[4-[[4-(4,5-dihydro-3H-pyrrol-…

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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) 2.04 4.8 -56.48 2 9 -1 145 450.518 8 ↓
Hi High (pH 8-9.5) 1.39 4.36 -93.12 2 9 -1 149 450.518 9 ↓
Hi High (pH 8-9.5) 2.04 4.92 -102.53 1 9 -2 147 449.51 8 ↓

Analogs

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Popular Name: 3-[[4-(4,5-dihydro-3H-pyrrol-2-ylsulfamoyl)phenyl]sulfamoyl]-4,5-dimethyl-benzoic 3-[[4-(4,5-dihydro-3H-pyrrol-2-y…

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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) 2.76 4.66 -67.14 2 9 -1 145 450.518 6 ↓
Hi High (pH 8-9.5) 2.11 4.08 -102.86 2 9 -1 149 450.518 7 ↓
Hi High (pH 8-9.5) 2.76 4.68 -118.31 1 9 -2 147 449.51 6 ↓

Analogs

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Popular Name: 3-[[4-(4,5-dihydro-3H-pyrrol-2-ylsulfamoyl)phenyl]sulfamoyl]-4-methyl-benzoic 3-[[4-(4,5-dihydro-3H-pyrrol-2-y…

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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) 2.38 3.68 -67.29 2 9 -1 145 436.491 6 ↓
Hi High (pH 8-9.5) 1.73 3.54 -101.14 2 9 -1 149 436.491 7 ↓
Hi High (pH 8-9.5) 2.38 4.12 -116.37 1 9 -2 147 435.483 6 ↓

Parameters Provided:

ring.id = 130903
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 = 130903 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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