UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11975124
11975124

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Popular Name: 3-(2-chloro-4-fluoro-benzoyl)-N-[(1S)-1-(2-furyl)ethyl]-9-methoxy-7-oxo-1,2,4,5-tetrahydropyrido[1,2 3-(2-chloro-4-fluoro-benzoyl)-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) 2.63 -0.14 -16.68 1 8 0 94 487.915 5 ↓

Analogs

11975119
11975119

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Popular Name: 3-(2-chloro-4-fluoro-benzoyl)-N-[(1R)-1-(2-furyl)ethyl]-9-methoxy-7-oxo-1,2,4,5-tetrahydropyrido[1,2 3-(2-chloro-4-fluoro-benzoyl)-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) 2.63 -0.1 -17.23 1 8 0 94 487.915 5 ↓

Analogs

11976947
11976947

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Popular Name: 3-(4-acetylbenzoyl)-N-[(1S)-1-(2-furyl)ethyl]-9-methoxy-N-methyl-7-oxo-1,2,4,5-tetrahydropyrido[1,2- 3-(4-acetylbenzoyl)-N-[(1S)-1-(2…

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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) 1.54 2.13 -21.52 0 9 0 102 491.544 6 ↓

Analogs

11976938
11976938

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Popular Name: 3-(4-acetylbenzoyl)-N-[(1R)-1-(2-furyl)ethyl]-9-methoxy-N-methyl-7-oxo-1,2,4,5-tetrahydropyrido[1,2- 3-(4-acetylbenzoyl)-N-[(1R)-1-(2…

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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) 1.54 2.08 -18.92 0 9 0 102 491.544 6 ↓

Analogs

11979267
11979267

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Popular Name: N-[(1S)-1-(2-furyl)ethyl]-9-methoxy-N-methyl-3-(4-methylsulfanylbenzoyl)-7-oxo-1,2,4,5-tetrahydropyr N-[(1S)-1-(2-furyl)ethyl]-9-meth…

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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 1.28 -17.44 0 8 0 85 495.601 6 ↓

Analogs

11979260
11979260

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Popular Name: N-[(1R)-1-(2-furyl)ethyl]-9-methoxy-N-methyl-3-(4-methylsulfanylbenzoyl)-7-oxo-1,2,4,5-tetrahydropyr N-[(1R)-1-(2-furyl)ethyl]-9-meth…

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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 1.15 -16.19 0 8 0 85 495.601 6 ↓

Analogs

11979891
11979891
12021045
12021045
12021051
12021051
20599350
20599350
20599351
20599351

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Popular Name: N-[(1S)-1-(2-furyl)ethyl]-9-methoxy-3-(2-methoxybenzoyl)-N-methyl-7-oxo-1,2,4,5-tetrahydropyrido[1,2 N-[(1S)-1-(2-furyl)ethyl]-9-meth…

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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) 2.19 2.31 -19.86 0 9 0 94 479.533 6 ↓

Analogs

12021045
12021045
12021051
12021051
20599350
20599350
20599351
20599351
11979885
11979885

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Popular Name: N-[(1R)-1-(2-furyl)ethyl]-9-methoxy-3-(2-methoxybenzoyl)-N-methyl-7-oxo-1,2,4,5-tetrahydropyrido[1,2 N-[(1R)-1-(2-furyl)ethyl]-9-meth…

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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) 2.19 2.37 -18.45 0 9 0 94 479.533 6 ↓

Analogs

11980142
11980142

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Popular Name: N-[(1S)-1-(2-furyl)ethyl]-9-methoxy-3-(2-methylsulfanylbenzoyl)-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d N-[(1S)-1-(2-furyl)ethyl]-9-meth…

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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 -0.92 -17.5 1 8 0 94 481.574 6 ↓

Analogs

11980131
11980131

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Popular Name: N-[(1R)-1-(2-furyl)ethyl]-9-methoxy-3-(2-methylsulfanylbenzoyl)-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d N-[(1R)-1-(2-furyl)ethyl]-9-meth…

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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 -0.92 -17.83 1 8 0 94 481.574 6 ↓

Analogs

11980186
11980186
11980997
11980997
11981005
11981005
11783079
11783079
11783080
11783080

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Popular Name: 3-(3,5-dimethylbenzoyl)-N-[(1S)-1-(2-furyl)ethyl]-9-methoxy-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1, 3-(3,5-dimethylbenzoyl)-N-[(1S)-…

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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) 2.69 -0.08 -15.54 1 8 0 94 463.534 5 ↓

Analogs

11980997
11980997
11981005
11981005
11980181
11980181

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Popular Name: 3-(3,5-dimethylbenzoyl)-N-[(1R)-1-(2-furyl)ethyl]-9-methoxy-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1, 3-(3,5-dimethylbenzoyl)-N-[(1R)-…

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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) 2.69 -0.08 -15.94 1 8 0 94 463.534 5 ↓

Analogs

11981005
11981005
11980181
11980181

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Popular Name: 3-(2,3-dimethylbenzoyl)-N-[(1S)-1-(2-furyl)ethyl]-9-methoxy-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1, 3-(2,3-dimethylbenzoyl)-N-[(1S)-…

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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) 2.67 -0.22 -15.27 1 8 0 94 463.534 5 ↓

Analogs

11980181
11980181

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Popular Name: 3-(2,3-dimethylbenzoyl)-N-[(1R)-1-(2-furyl)ethyl]-9-methoxy-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1, 3-(2,3-dimethylbenzoyl)-N-[(1R)-…

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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) 2.67 -0.22 -15.52 1 8 0 94 463.534 5 ↓

Analogs

11995408
11995408

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Popular Name: 3-(2,3-dimethoxybenzoyl)-N-[(1S)-1-(2-furyl)ethyl]-9-methoxy-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1 3-(2,3-dimethoxybenzoyl)-N-[(1S)…

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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) 2.23 0.05 -19.36 1 10 0 112 495.532 7 ↓

Analogs

11995407
11995407

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Popular Name: 3-(2,3-dimethoxybenzoyl)-N-[(1R)-1-(2-furyl)ethyl]-9-methoxy-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1 3-(2,3-dimethoxybenzoyl)-N-[(1R)…

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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) 2.23 0.05 -19.74 1 10 0 112 495.532 7 ↓

Analogs

11995675
11995675

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Popular Name: 3-(2,3-difluorobenzoyl)-N-[(1S)-1-(2-furyl)ethyl]-9-methoxy-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1, 3-(2,3-difluorobenzoyl)-N-[(1S)-…

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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) 2.10 0.72 -21.41 1 8 0 94 471.46 5 ↓

Analogs

11995674
11995674

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Popular Name: 3-(2,3-difluorobenzoyl)-N-[(1R)-1-(2-furyl)ethyl]-9-methoxy-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1, 3-(2,3-difluorobenzoyl)-N-[(1R)-…

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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) 2.10 0.72 -21.9 1 8 0 94 471.46 5 ↓

Analogs

12019991
12019991

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Popular Name: 3-(2,6-difluorobenzoyl)-N-[(1S)-1-(2-furyl)ethyl]-9-methoxy-N-methyl-7-oxo-1,2,4,5-tetrahydropyrido[ 3-(2,6-difluorobenzoyl)-N-[(1S)-…

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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) 1.87 3.21 -19.53 0 8 0 85 485.487 5 ↓

Analogs

12019988
12019988

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Popular Name: 3-(2,6-difluorobenzoyl)-N-[(1R)-1-(2-furyl)ethyl]-9-methoxy-N-methyl-7-oxo-1,2,4,5-tetrahydropyrido[ 3-(2,6-difluorobenzoyl)-N-[(1R)-…

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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) 1.87 3.05 -18.59 0 8 0 85 485.487 5 ↓

Analogs

12021051
12021051
11979885
11979885
11979891
11979891

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Popular Name: 3-benzoyl-N-[(1S)-1-(2-furyl)ethyl]-9-methoxy-N-methyl-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]dia 3-benzoyl-N-[(1S)-1-(2-furyl)eth…

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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 1.65 -17.07 0 8 0 85 449.507 5 ↓

Analogs

11979885
11979885
11979891
11979891

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Popular Name: 3-benzoyl-N-[(1R)-1-(2-furyl)ethyl]-9-methoxy-N-methyl-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]dia 3-benzoyl-N-[(1R)-1-(2-furyl)eth…

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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 1.64 -15.67 0 8 0 85 449.507 5 ↓

Analogs

12022788
12022788

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Popular Name: 3-(2,5-difluorobenzoyl)-N-[(1S)-1-(2-furyl)ethyl]-9-methoxy-N-methyl-7-oxo-1,2,4,5-tetrahydropyrido[ 3-(2,5-difluorobenzoyl)-N-[(1S)-…

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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) 1.89 3.1 -18.56 0 8 0 85 485.487 5 ↓

Analogs

12022784
12022784

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Popular Name: 3-(2,5-difluorobenzoyl)-N-[(1R)-1-(2-furyl)ethyl]-9-methoxy-N-methyl-7-oxo-1,2,4,5-tetrahydropyrido[ 3-(2,5-difluorobenzoyl)-N-[(1R)-…

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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) 1.89 2.85 -17.03 0 8 0 85 485.487 5 ↓

Parameters Provided:

ring.id = 62648
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 = 62648 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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