UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4R)-3'-[(3-morpholinosulfonylphenyl)methyl]spiro[6,7-dihydro-5H-benzothiophene-4,5'-imidazolidine]- (4R)-3'-[(3-morpholinosulfonylph…

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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) 1.77 5.06 -17.22 1 8 0 96 461.565 4 ↓

Analogs

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Popular Name: (4S)-3'-[(3-morpholinosulfonylphenyl)methyl]spiro[6,7-dihydro-5H-benzothiophene-4,5'-imidazolidine]- (4S)-3'-[(3-morpholinosulfonylph…

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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) 1.77 5.17 -15.52 1 8 0 96 461.565 4 ↓

Analogs

14242159
14242159
9054561
9054561
9054564
9054564

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Popular Name: (4R)-3'-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[6,7-dihydro-5H-benzothiophene-4,5'-imi (4R)-3'-[[3-(4-ethylphenyl)-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) 3.66 7.64 -13.42 1 7 0 88 408.483 4 ↓

Analogs

14242158
14242158
9054561
9054561

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Popular Name: (4S)-3'-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[6,7-dihydro-5H-benzothiophene-4,5'-imi (4S)-3'-[[3-(4-ethylphenyl)-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) 3.66 7.75 -12.9 1 7 0 88 408.483 4 ↓

Analogs

14242944
14242944

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Popular Name: (4R)-3'-[3-(3-methylphenoxy)propyl]spiro[6,7-dihydro-5H-benzothiophene-4,5'-imidazolidine]-2',4'-dio (4R)-3'-[3-(3-methylphenoxy)prop…

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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) 3.61 8.57 -11.18 1 5 0 59 370.474 5 ↓

Analogs

14242943
14242943

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Popular Name: (4S)-3'-[3-(3-methylphenoxy)propyl]spiro[6,7-dihydro-5H-benzothiophene-4,5'-imidazolidine]-2',4'-dio (4S)-3'-[3-(3-methylphenoxy)prop…

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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) 3.61 8.67 -10.7 1 5 0 59 370.474 5 ↓

Analogs

14242946
14242946

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Popular Name: (4R)-3'-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]spiro[6,7-dihydro-5H-benzothiophene-4,5'-imidazolidi (4R)-3'-[(4,6-diamino-1,3,5-tria…

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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) -0.29 5 -12.69 5 9 0 140 345.388 2 ↓

Analogs

14242945
14242945

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Popular Name: (4S)-3'-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]spiro[6,7-dihydro-5H-benzothiophene-4,5'-imidazolidi (4S)-3'-[(4,6-diamino-1,3,5-tria…

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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) -0.29 5.1 -12.2 5 9 0 140 345.388 2 ↓

Analogs

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Popular Name: (4S)-3'-[(2S)-2-hydroxy-3-(4-methyl-1-piperidyl)propyl]spiro[6,7-dihydro-5H-benzothiophene-4,5'-imid (4S)-3'-[(2S)-2-hydroxy-3-(4-met…

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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) 1.77 5.9 -39.24 3 6 1 74 378.518 4 ↓

Parameters Provided:

ring.id = 141985
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 = 141985 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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