UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20900671
20900671

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Popular Name: 2-(azepane-1-carbonyl)-1-methyl-spiro[8H-furo[4,5-f]chromene-7,1'-cyclohexane]-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) 5.32 11.57 -13.25 0 5 0 60 395.499 1 ↓

Analogs

15671835
15671835

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Popular Name: 2-(indoline-1-carbonyl)-1-methyl-spiro[8H-furo[4,5-f]chromene-7,1'-cyclohexane]-9-one 2-(indoline-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) 5.60 12.35 -15.84 0 5 0 60 415.489 1 ↓

Analogs

20900675
20900675

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Popular Name: 1-methyl-2-(pyrrolidine-1-carbonyl)spiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-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) 4.31 9.69 -13.91 0 5 0 60 367.445 1 ↓

Analogs

20900677
20900677
6793307
6793307
6793808
6793808
20464735
20464735

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Popular Name: 1-methyl-2-(4-methylpiperazine-1-carbonyl)spiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-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) 3.80 10.31 -49.23 1 6 1 64 397.495 1 ↓
Mid Mid (pH 6-8) 3.80 7.9 -12.66 0 6 0 63 396.487 1 ↓

Analogs

20900679
20900679
15671836
15671836

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Popular Name: 1-methyl-2-(morpholine-4-carbonyl)spiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-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) 3.75 8.06 -13.15 0 6 0 69 383.444 1 ↓

Analogs

20900648
20900648
20900651
20900651
20900681
20900681
20900683
20900683
20900686
20900686

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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'-cyclohexane 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) 5.53 11.91 -12.85 0 5 0 60 409.526 1 ↓

Analogs

20900651
20900651
20900681
20900681
20900683
20900683
20900686
20900686
20900646
20900646

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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'-cyclohexane 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) 5.53 11.48 -12.53 0 5 0 60 409.526 1 ↓

Analogs

20900681
20900681
20900683
20900683
20900686
20900686
20900646
20900646
20900648
20900648

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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'-cyclohexane 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) 5.53 11.85 -12.72 0 5 0 60 409.526 1 ↓

Analogs

20900655
20900655
20900689
20900689
20900691
20900691
6793561
6793561
6793568
6793568

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Popular Name: 1-methyl-9-oxo-N-sec-butyl-spiro[8H-furo[4,5-f]chromene-7,1'-cyclohexane]-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) 4.87 9.01 -13.52 1 5 0 69 369.461 3 ↓

Analogs

20900689
20900689
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'-cyclohexane]-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) 4.87 9.02 -13.47 1 5 0 69 369.461 3 ↓

Analogs

20900665
20900665
20900693
20900693
20900703
20900703
6793791
6793791

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Popular Name: N-cyclopentyl-1-methyl-9-oxo-spiro[8H-furo[4,5-f]chromene-7,1'-cyclohexane]-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) 5.06 9.45 -13.47 1 5 0 69 381.472 2 ↓

Analogs

20900695
20900695
6793575
6793575
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'-cyclohexane]-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) 5.62 10.33 -10.56 1 5 0 69 425.431 2 ↓

Analogs

20900663
20900663
20900697
20900697
20900699
20900699
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'-cyclohexane]-2 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) 4.04 7.46 -13.95 1 6 0 78 397.471 3 ↓

Analogs

20900697
20900697
20900699
20900699
20900661
20900661
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'-cyclohexane]-2 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) 4.04 7.49 -13.9 1 6 0 78 397.471 3 ↓

Analogs

20900703
20900703
6793791
6793791
20900657
20900657

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

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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) 5.34 10.97 -12.81 1 5 0 69 409.526 2 ↓

Analogs

9251371
9251371
20464781
20464781
9251388
9251388

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Popular Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-9-oxo-spiro[8H-furo[4,5-f]chromene-7,1'-cyclohexane]-2 N-(2,3-dihydro-1,4-benzodioxin-6…

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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) 4.87 9.29 -18.29 1 7 0 87 447.487 2 ↓

Analogs

20900701
20900701
6793764
6793764
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'-cyclohexane]-2-carboxam 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) 6.04 11.25 -13.44 1 5 0 69 421.537 4 ↓

Parameters Provided:

ring.id = 82517
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 = 82517 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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