UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

3966589
3966589
3944688
3944688

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Popular Name: tert-butyl tert-butyl

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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) 6.63 9.13 -18.53 2 9 0 129 587.783 17 ↓

Analogs

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Popular Name: 4-chloro-3-(4-phenylbutylsulfamoyl)benzoic 4-chloro-3-(4-phenylbutylsulfamo…

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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) 4.12 6.53 -50.63 1 5 -1 86 366.846 8 ↓

Analogs

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Popular Name: 2-chloro-5-(4-phenylbutylsulfamoyl)benzoic 2-chloro-5-(4-phenylbutylsulfamo…

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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) 3.78 6.87 -53.95 1 5 -1 86 366.846 8 ↓

Analogs

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Popular Name: 3-(4-phenylbutylsulfamoyl)benzoic 3-(4-phenylbutylsulfamoyl)benzoic

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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) 3.49 6.47 -55 1 5 -1 86 332.401 8 ↓

Analogs

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Popular Name: (E)-3-[3,4-dimethoxy-5-(4-phenylbutylsulfamoyl)phenyl]prop-2-enoic (E)-3-[3,4-dimethoxy-5-(4-phenyl…

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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 7.51 -52.63 1 7 -1 105 418.491 11 ↓

Analogs

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Popular Name: 4-methoxy-3-(4-phenylbutylsulfamoyl)benzoic 4-methoxy-3-(4-phenylbutylsulfam…

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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) 3.49 6.3 -56.92 1 6 -1 96 362.427 9 ↓

Analogs

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Popular Name: 2-bromo-5-(4-phenylbutylsulfamoyl)benzoic 2-bromo-5-(4-phenylbutylsulfamoy…

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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) 3.91 6.96 -53.2 1 5 -1 86 411.297 8 ↓

Analogs

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Popular Name: (E)-3-[4-(4-phenylbutylsulfamoyl)phenyl]prop-2-enoic (E)-3-[4-(4-phenylbutylsulfamoyl…

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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) 3.57 7.71 -53.18 1 5 -1 86 358.439 9 ↓

Analogs

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Popular Name: 2-methyl-5-(4-phenylbutylsulfamoyl)benzoic 2-methyl-5-(4-phenylbutylsulfamo…

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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) 3.55 7 -55.61 1 5 -1 86 346.428 8 ↓

Analogs

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Popular Name: 2-fluoro-5-(4-phenylbutylsulfamoyl)benzoic 2-fluoro-5-(4-phenylbutylsulfamo…

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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) 3.26 6.5 -57.04 1 5 -1 86 350.391 8 ↓

Analogs

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Popular Name: (E)-3-[4-methoxy-3-(4-phenylbutylsulfamoyl)phenyl]prop-2-enoic (E)-3-[4-methoxy-3-(4-phenylbuty…

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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) 3.56 7.53 -57.35 1 6 -1 96 388.465 10 ↓

Analogs

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Popular Name: 4-bromo-3-(4-phenylbutylsulfamoyl)benzoic 4-bromo-3-(4-phenylbutylsulfamoy…

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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) 4.25 7.21 -50.5 1 5 -1 86 411.297 8 ↓

Analogs

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Popular Name: 4-(4-phenylbutylsulfamoyl)benzoic 4-(4-phenylbutylsulfamoyl)benzoic

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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) 3.51 6.48 -51.58 1 5 -1 86 332.401 8 ↓

Analogs

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Popular Name: 3-[4-(4-phenylbutylsulfamoyl)phenyl]propanoic 3-[4-(4-phenylbutylsulfamoyl)phe…

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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) 3.54 8.09 -50.99 1 5 -1 86 360.455 10 ↓

Analogs

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Popular Name: 3,4-dimethyl-5-(4-phenylbutylsulfamoyl)benzoic 3,4-dimethyl-5-(4-phenylbutylsul…

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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) 4.26 7.92 -59.18 1 5 -1 86 360.455 8 ↓

Analogs

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Popular Name: 4-methyl-3-(4-phenylbutylsulfamoyl)benzoic 4-methyl-3-(4-phenylbutylsulfamo…

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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) 3.89 7.27 -58.53 1 5 -1 86 346.428 8 ↓

Analogs

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Popular Name: 2,4-dichloro-5-(4-phenylbutylsulfamoyl)benzoic 2,4-dichloro-5-(4-phenylbutylsul…

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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) 4.38 6.92 -49.36 1 5 -1 86 401.291 8 ↓

Analogs

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Popular Name: 2-hydroxy-5-(4-phenylbutylsulfamoyl)benzoic 2-hydroxy-5-(4-phenylbutylsulfam…

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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) 3.51 4.55 -57.42 2 6 -1 107 348.4 8 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 7.11 7.47 -11.59 2 8 0 105 560.635 14 ↓

Analogs

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Popular Name: N-isobutyl-4-methoxy-2-methyl-3-methylsulfonyl-N-(4-phenylbutyl)benzenesulfonamide N-isobutyl-4-methoxy-2-methyl-3-…

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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) 4.64 9.41 -19.51 0 6 0 81 467.653 11 ↓

Analogs

60219172
60219172

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Popular Name: 2-methyl-3-methylsulfonyl-N-(4-phenylbutyl)-N-propyl-benzenesulfonamide 2-methyl-3-methylsulfonyl-N-(4-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) 4.38 8.33 -17.98 0 5 0 72 423.6 10 ↓

Analogs

60219175
60219175

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Popular Name: N-butyl-4-methoxy-2-methyl-3-methylsulfonyl-N-(4-phenylbutyl)benzenesulfonamide N-butyl-4-methoxy-2-methyl-3-met…

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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) 4.95 9.9 -19.89 0 6 0 81 467.653 12 ↓

Analogs

60219167
60219167

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Popular Name: 3,4-dimethoxy-N-[(2S)-2-methyl-4-phenyl-butyl]-N-methylsulfonyl-benzenesulfonamide 3,4-dimethoxy-N-[(2S)-2-methyl-4…

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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 6.35 -15.01 0 7 0 90 441.571 10 ↓

Analogs

60219162
60219162

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Popular Name: 3,4-dimethoxy-N-[(2R)-2-methyl-4-phenyl-butyl]-N-methylsulfonyl-benzenesulfonamide 3,4-dimethoxy-N-[(2R)-2-methyl-4…

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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 6.57 -14.58 0 7 0 90 441.571 10 ↓

Analogs

60219155
60219155

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Popular Name: N-butyl-2-methyl-3-methylsulfonyl-N-(4-phenylbutyl)benzenesulfonamide N-butyl-2-methyl-3-methylsulfony…

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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) 4.94 9.12 -18 0 5 0 72 437.627 11 ↓

Analogs

60219158
60219158

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Popular Name: 4-methoxy-2-methyl-3-methylsulfonyl-N-(4-phenylbutyl)-N-propyl-benzenesulfonamide 4-methoxy-2-methyl-3-methylsulfo…

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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) 4.39 9.12 -19.93 0 6 0 81 453.626 11 ↓

Analogs

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Popular Name: N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE N-[(2R,3S)-3-AMINO-2-HYDROXY-4-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) 2.21 2.32 -56.54 5 6 1 103 393.529 8 ↓
Hi High (pH 8-9.5) 2.21 2.06 -11.09 4 6 0 102 392.521 8 ↓

Parameters Provided:

ring.id = 9058
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 = 9058 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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