UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

16644007
16644007
3422129
3422129

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Popular Name: 3-(benzylsulfamoyl)-4-methyl-N-(4-methylsulfanylphenyl)-benzamide 3-(benzylsulfamoyl)-4-methyl-N-(…

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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) 4.11 -4.58 -19.51 2 5 0 75 426.563 7 ↓

Analogs

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Popular Name: 3-[[3-(benzyl-methyl-sulfamoyl)-4-methoxy-benzoyl]amino]-4-methyl-benzoic 3-[[3-(benzyl-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) 3.81 8.78 -80.22 1 8 -1 116 467.523 8 ↓

Analogs

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Popular Name: 3-[[3-(benzyl-methyl-sulfamoyl)-4-methoxy-benzoyl]amino]benzoic 3-[[3-(benzyl-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) 3.41 7.93 -78.88 1 8 -1 116 453.496 8 ↓

Analogs

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Popular Name: 4-[[3-(benzyl-methyl-sulfamoyl)-4-methoxy-benzoyl]amino]benzoic 4-[[3-(benzyl-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) 3.44 7.95 -67.91 1 8 -1 116 453.496 8 ↓

Analogs

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Popular Name: 2-[[3-(benzyl-methyl-sulfamoyl)-4-methoxy-benzoyl]amino]-5-chloro-benzoic 2-[[3-(benzyl-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) 4.22 8.79 -52.67 1 8 -1 116 487.941 8 ↓

Analogs

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Popular Name: 2-[[3-(benzyl-methyl-sulfamoyl)-4-methoxy-benzoyl]amino]benzoic 2-[[3-(benzyl-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) 3.57 8.36 -58.02 1 8 -1 116 453.496 8 ↓

Analogs

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Popular Name: (E)-3-[4-[[3-(benzyl-methyl-sulfamoyl)-4-methoxy-benzoyl]amino]phenyl]prop-2-enoic (E)-3-[4-[[3-(benzyl-methyl-sulf…

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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) 3.50 9.16 -67.67 1 8 -1 116 479.534 9 ↓

Analogs

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Popular Name: ethyl 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) 4.19 8.86 -21.66 2 7 0 102 452.532 9 ↓

Analogs

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Popular Name: 2-[[3-(benzyl-methyl-sulfamoyl)-4-methoxy-benzoyl]amino]-4-chloro-benzoic 2-[[3-(benzyl-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) 4.22 8.8 -52.03 1 8 -1 116 487.941 8 ↓

Analogs

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Popular Name: 3-[[3-(benzyl-methyl-sulfamoyl)-4-methoxy-benzoyl]amino]-4-chloro-benzoic 3-[[3-(benzyl-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) 4.04 8.56 -69.57 1 8 -1 116 487.941 8 ↓

Analogs

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Popular Name: 5-[[3-(benzyl-methyl-sulfamoyl)-4-methoxy-benzoyl]amino]benzene-1,3-dicarboxylic 5-[[3-(benzyl-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) 3.27 7.53 -132.74 1 10 -2 156 496.497 9 ↓

Analogs

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Popular Name: 2-[[3-(benzyl-methyl-sulfamoyl)-4-methoxy-benzoyl]amino]-4-fluoro-benzoic 2-[[3-(benzyl-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) 3.71 8.35 -51.72 1 8 -1 116 471.486 8 ↓

Analogs

25377145
25377145

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Popular Name: 3-(benzylsulfamoyl)-N-(5-chloro-2-methyl-phenyl)-4-methyl-benzamide 3-(benzylsulfamoyl)-N-(5-chloro-…

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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) 4.73 8.79 -19.91 2 5 0 75 428.941 6 ↓

Analogs

14249795
14249795

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Popular Name: N-(3-ethynylphenyl)-3-[[(1R)-1-phenylethyl]sulfamoyl]benzamide N-(3-ethynylphenyl)-3-[[(1R)-1-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) 3.57 8.31 -21.41 2 5 0 75 404.491 6 ↓

Analogs

14249793
14249793

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Popular Name: N-(3-ethynylphenyl)-3-[[(1S)-1-phenylethyl]sulfamoyl]benzamide N-(3-ethynylphenyl)-3-[[(1S)-1-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) 3.57 8.39 -21.65 2 5 0 75 404.491 6 ↓

Analogs

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Popular Name: 3-(benzylsulfamoyl)-4-chloro-N-(2,4-dimethylphenyl)benzamide 3-(benzylsulfamoyl)-4-chloro-N-(…

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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) 4.73 8.09 -16.83 2 5 0 75 428.941 6 ↓

Analogs

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Popular Name: 3-[(4-chlorophenyl)methylsulfamoyl]-N-(2,4-dimethylphenyl)-4-methoxy-benzamide 3-[(4-chlorophenyl)methylsulfamo…

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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) 4.78 8.41 -20.45 2 6 0 85 458.967 7 ↓

Parameters Provided:

ring.id = 84907
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 = 84907 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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