UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [4-(methoxycarbonylamino)phenyl] [4-(methoxycarbonylamino)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) 0.62 3.69 -12.05 1 7 0 83 281.264 5 ↓

Analogs

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Popular Name: [4-(methoxycarbonylamino)phenyl] [4-(methoxycarbonylamino)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) 0.62 3.7 -12.15 1 7 0 83 281.264 5 ↓

Analogs

41765338
41765338

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Popular Name: (4-cyano-2-methoxy-phenyl) (4-cyano-2-methoxy-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) 0.25 5.62 -11.43 0 6 0 78 263.249 4 ↓

Analogs

41765335
41765335

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Popular Name: (4-cyano-2-methoxy-phenyl) (4-cyano-2-methoxy-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) 0.25 5.62 -11.15 0 6 0 78 263.249 4 ↓

Analogs

41774792
41774792

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Popular Name: (2-methoxy-5-nitro-phenyl) (2-methoxy-5-nitro-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) 0.46 5.93 -12.47 0 8 0 100 283.236 5 ↓

Analogs

41774791
41774791

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Popular Name: (2-methoxy-5-nitro-phenyl) (2-methoxy-5-nitro-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) 0.46 5.93 -12.55 0 8 0 100 283.236 5 ↓

Analogs

41775049
41775049

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Popular Name: (2-carbamoyl-5-methoxy-phenyl) (2-carbamoyl-5-methoxy-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) 0.26 2.42 -16.96 2 7 0 97 281.264 5 ↓

Analogs

41775048
41775048

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Popular Name: (2-carbamoyl-5-methoxy-phenyl) (2-carbamoyl-5-methoxy-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) 0.26 2.41 -16.34 2 7 0 97 281.264 5 ↓

Analogs

41775597
41775597

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Popular Name: (4-methylsulfonylphenyl) (4-methylsulfonylphenyl)

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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) -0.22 3.04 -15.23 0 6 0 79 286.305 4 ↓

Analogs

41775596
41775596

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Popular Name: (4-methylsulfonylphenyl) (4-methylsulfonylphenyl)

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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) -0.22 3.04 -15.13 0 6 0 79 286.305 4 ↓

Analogs

41776390
41776390

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Popular Name: (5-methyl-2-nitro-phenyl) (5-methyl-2-nitro-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) 1.24 7.16 -13.91 0 7 0 91 267.237 4 ↓

Analogs

41776389
41776389

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Popular Name: (5-methyl-2-nitro-phenyl) (5-methyl-2-nitro-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) 1.24 7.13 -13.85 0 7 0 91 267.237 4 ↓

Analogs

41807560
41807560

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Popular Name: (2-bromo-4-methoxycarbonyl-phenyl) (2-bromo-4-methoxycarbonyl-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) 1.82 6.75 -11 0 6 0 71 345.145 5 ↓

Analogs

41807558
41807558

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Popular Name: (2-bromo-4-methoxycarbonyl-phenyl) (2-bromo-4-methoxycarbonyl-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) 1.82 6.75 -10.56 0 6 0 71 345.145 5 ↓

Analogs

41859737
41859737

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Popular Name: [3-(methylcarbamoyl)phenyl] [3-(methylcarbamoyl)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) 0.08 3.76 -17.53 1 6 0 74 265.265 4 ↓

Analogs

41859735
41859735

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Popular Name: [3-(methylcarbamoyl)phenyl] [3-(methylcarbamoyl)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) 0.08 3.76 -17.21 1 6 0 74 265.265 4 ↓

Analogs

41861364
41861364

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Popular Name: [4-(dimethylcarbamoyl)phenyl] [4-(dimethylcarbamoyl)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) -0.12 5.34 -13.26 0 6 0 65 279.292 4 ↓

Analogs

41861363
41861363

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Popular Name: [4-(dimethylcarbamoyl)phenyl] [4-(dimethylcarbamoyl)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) -0.12 5.34 -13.35 0 6 0 65 279.292 4 ↓

Analogs

41903521
41903521

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Popular Name: [3-(dimethylcarbamoyl)phenyl] [3-(dimethylcarbamoyl)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) -0.15 5.31 -17.14 0 6 0 65 279.292 4 ↓

Analogs

41903519
41903519

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Popular Name: [3-(dimethylcarbamoyl)phenyl] [3-(dimethylcarbamoyl)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) -0.15 5.31 -16.76 0 6 0 65 279.292 4 ↓

Analogs

41983456
41983456

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Popular Name: [2-(methylcarbamoyl)phenyl] [2-(methylcarbamoyl)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) 0.60 4.56 -16.47 1 6 0 74 265.265 4 ↓

Analogs

41983454
41983454

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Popular Name: [2-(methylcarbamoyl)phenyl] [2-(methylcarbamoyl)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) 0.60 4.55 -15.82 1 6 0 74 265.265 4 ↓

Parameters Provided:

ring.id = 90533
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 = 90533 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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