UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20900687
20900687
20900636
20900636

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Popular Name: 2-(azepane-1-carbonyl)-1-methyl-spiro[8H-furo[4,5-f]chromene-7,1'-cycloheptane]-9-one 2-(azepane-1-carbonyl)-1-methyl-…

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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) 5.83 12.34 -13.62 0 5 0 60 409.526 1 ↓

Analogs

20900687
20900687

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Popular Name: 1-methyl-2-(4-methylpiperidine-1-carbonyl)spiro[8H-furo[3,2-f]chromene-7,1'-cycloheptane]-9-one 1-methyl-2-(4-methylpiperidine-1…

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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) 5.56 11.65 -13.09 0 5 0 60 409.526 1 ↓

Analogs

20900687
20900687
20900640
20900640

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Popular Name: 1-methyl-2-(pyrrolidine-1-carbonyl)spiro[8H-furo[3,2-f]chromene-7,1'-cycloheptane]-9-one 1-methyl-2-(pyrrolidine-1-carbon…

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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) 4.82 10.46 -14.15 0 5 0 60 381.472 1 ↓

Analogs

6793307
6793307
6793808
6793808
20900642
20900642

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Popular Name: 1-methyl-2-(4-methylpiperazine-1-carbonyl)spiro[8H-furo[3,2-f]chromene-7,1'-cycloheptane]-9-one 1-methyl-2-(4-methylpiperazine-1…

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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) 4.31 11.1 -49.37 1 6 1 64 411.522 1 ↓
Mid Mid (pH 6-8) 4.31 8.69 -12.92 0 6 0 63 410.514 1 ↓

Analogs

20900644
20900644
15671836
15671836

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Popular Name: 1-methyl-2-(morpholine-4-carbonyl)spiro[8H-furo[3,2-f]chromene-7,1'-cycloheptane]-9-one 1-methyl-2-(morpholine-4-carbony…

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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 8.68 -13.42 0 6 0 69 397.471 1 ↓

Analogs

20900683
20900683
20900686
20900686
20900646
20900646
20900648
20900648
20900651
20900651

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Popular Name: 2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-methyl-spiro[8H-furo[4,5-f]chromene-7,1'-cycloheptan 2-[(3R,5R)-3,5-dimethylpiperidin…

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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) 6.04 12.69 -13.17 0 5 0 60 423.553 1 ↓

Analogs

20900686
20900686
20900646
20900646
20900648
20900648
20900651
20900651
20900681
20900681

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Popular Name: 2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-methyl-spiro[8H-furo[4,5-f]chromene-7,1'-cycloheptan 2-[(3S,5R)-3,5-dimethylpiperidin…

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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) 6.04 12.38 -12.83 0 5 0 60 423.553 1 ↓

Analogs

20900646
20900646
20900648
20900648
20900651
20900651
20900681
20900681
20900683
20900683

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Popular Name: 2-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1-methyl-spiro[8H-furo[4,5-f]chromene-7,1'-cycloheptan 2-[(3S,5S)-3,5-dimethylpiperidin…

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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) 6.04 12.65 -12.95 0 5 0 60 423.553 1 ↓

Analogs

20900671
20900671
20900673
20900673
20900675
20900675

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Popular Name: 1-methyl-2-(piperidine-1-carbonyl)spiro[8H-furo[3,2-f]chromene-7,1'-cycloheptane]-9-one 1-methyl-2-(piperidine-1-carbony…

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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) 5.32 11.24 -13.41 0 5 0 60 395.499 1 ↓

Analogs

20900691
20900691
6793561
6793561
6793568
6793568
20900653
20900653

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Popular Name: 1-methyl-9-oxo-N-sec-butyl-spiro[8H-furo[4,5-f]chromene-7,1'-cycloheptane]-2-carboxamide 1-methyl-9-oxo-N-sec-butyl-spiro…

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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) 5.38 9.8 -13.9 1 5 0 69 383.488 3 ↓

Analogs

6793561
6793561
6793568
6793568
20900653
20900653

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Popular Name: 1-methyl-9-oxo-N-sec-butyl-spiro[8H-furo[4,5-f]chromene-7,1'-cycloheptane]-2-carboxamide 1-methyl-9-oxo-N-sec-butyl-spiro…

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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) 5.38 9.79 -13.75 1 5 0 69 383.488 3 ↓

Analogs

20900703
20900703
20900657
20900657

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Popular Name: N-cyclopentyl-1-methyl-9-oxo-spiro[8H-furo[4,5-f]chromene-7,1'-cycloheptane]-2-carboxamide N-cyclopentyl-1-methyl-9-oxo-spi…

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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) 5.57 10.23 -13.83 1 5 0 69 395.499 2 ↓

Analogs

6793575
6793575
20900659
20900659
15671839
15671839

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Popular Name: N-(2,4-difluorophenyl)-1-methyl-9-oxo-spiro[8H-furo[4,5-f]chromene-7,1'-cycloheptane]-2-carboxamide N-(2,4-difluorophenyl)-1-methyl-…

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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) 6.12 11.11 -10.76 1 5 0 69 439.458 2 ↓

Analogs

20900699
20900699
20900661
20900661
20900663
20900663
15671842
15671842
15671843
15671843

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Popular Name: 1-methyl-9-oxo-N-[[(2S)-tetrahydrofuran-2-yl]methyl]spiro[8H-furo[4,5-f]chromene-7,1'-cycloheptane]- 1-methyl-9-oxo-N-[[(2S)-tetrahyd…

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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) 4.54 8.35 -14.42 1 6 0 78 411.498 3 ↓

Analogs

20900661
20900661
20900663
20900663
20900697
20900697
15671842
15671842
15671843
15671843

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Popular Name: 1-methyl-9-oxo-N-[[(2R)-tetrahydrofuran-2-yl]methyl]spiro[8H-furo[4,5-f]chromene-7,1'-cycloheptane]- 1-methyl-9-oxo-N-[[(2R)-tetrahyd…

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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) 4.54 8.41 -14.29 1 6 0 78 411.498 3 ↓

Analogs

6793764
6793764
20900669
20900669
15671844
15671844

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Popular Name: N-[2-(1-cyclohexenyl)ethyl]-1-methyl-9-oxo-spiro[8H-furo[4,5-f]chromene-7,1'-cycloheptane]-2-carboxa N-[2-(1-cyclohexenyl)ethyl]-1-me…

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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) 6.55 12.04 -13.71 1 5 0 69 435.564 4 ↓

Analogs

6793791
6793791
20900657
20900657
20900665
20900665
20900693
20900693

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Popular Name: N-cyclohexyl-1-methyl-9-oxo-spiro[8H-furo[4,5-f]chromene-7,1'-cycloheptane]-2-carboxamide N-cyclohexyl-1-methyl-9-oxo-spir…

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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) 6.07 10.72 -13.79 1 5 0 69 409.526 2 ↓

Parameters Provided:

ring.id = 82543
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 = 82543 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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