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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14232732
14232732

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Popular Name: (4S)-4-(2-chloro-6-fluoro-phenyl)-1-(2-methoxyethyl)-6-methyl-N-(5-methylisoxazol-3-yl)-2-thioxo-3,4 (4S)-4-(2-chloro-6-fluoro-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) 3.28 8.86 -12.08 2 7 0 80 438.912 6 ↓

Analogs

14232728
14232728

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Popular Name: (4R)-4-(2-chloro-6-fluoro-phenyl)-1-(2-methoxyethyl)-6-methyl-N-(5-methylisoxazol-3-yl)-2-thioxo-3,4 (4R)-4-(2-chloro-6-fluoro-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) 3.28 9.06 -15.25 2 7 0 80 438.912 6 ↓

Analogs

14232740
14232740

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Popular Name: (4S)-4-(2,4-dichlorophenyl)-1-(2-methoxyethyl)-6-methyl-N-(5-methylisoxazol-3-yl)-2-thioxo-3,4-dihyd (4S)-4-(2,4-dichlorophenyl)-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) 3.82 9.42 -13.82 2 7 0 80 455.367 6 ↓

Analogs

14232736
14232736

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Popular Name: (4R)-4-(2,4-dichlorophenyl)-1-(2-methoxyethyl)-6-methyl-N-(5-methylisoxazol-3-yl)-2-thioxo-3,4-dihyd (4R)-4-(2,4-dichlorophenyl)-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) 3.82 9.75 -10.26 2 7 0 80 455.367 6 ↓

Analogs

14240842
14240842
25070931
25070931
25070935
25070935
25071427
25071427
25071432
25071432

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Popular Name: (4S)-1-allyl-4-[4-(difluoromethoxy)-3-methoxy-phenyl]-6-methyl-N-(5-methylisoxazol-3-yl)-2-thioxo-3, (4S)-1-allyl-4-[4-(difluorometho…

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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) 3.40 9.76 -15.75 2 8 0 89 464.494 8 ↓

Analogs

25070931
25070931
25070935
25070935
25071427
25071427
25071432
25071432
14240841
14240841

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Popular Name: (4R)-1-allyl-4-[4-(difluoromethoxy)-3-methoxy-phenyl]-6-methyl-N-(5-methylisoxazol-3-yl)-2-thioxo-3, (4R)-1-allyl-4-[4-(difluorometho…

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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) 3.40 9.63 -16.51 2 8 0 89 464.494 8 ↓

Analogs

14250280
14250280

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Popular Name: (4S)-4-(3-cyanophenyl)-1-(2-methoxyethyl)-6-methyl-N-(5-methylisoxazol-3-yl)-2-thioxo-3,4-dihydropyr (4S)-4-(3-cyanophenyl)-1-(2-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) 2.27 9.19 -17.08 2 8 0 103 411.487 6 ↓

Analogs

14250278
14250278

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Popular Name: (4R)-4-(3-cyanophenyl)-1-(2-methoxyethyl)-6-methyl-N-(5-methylisoxazol-3-yl)-2-thioxo-3,4-dihydropyr (4R)-4-(3-cyanophenyl)-1-(2-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) 2.27 8.95 -18.08 2 8 0 103 411.487 6 ↓

Analogs

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Popular Name: (4R)-4-(3-fluoro-4-methyl-phenyl)-6-methyl-N-(5-methylisoxazol-3-yl)-2-thioxo-3,4-dihydro-1H-pyrimid (4R)-4-(3-fluoro-4-methyl-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) 2.85 7.86 -14.76 3 6 0 79 360.414 3 ↓
Hi High (pH 8-9.5) 2.65 7.2 -36.55 2 6 -1 86 359.406 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-(3-fluoro-4-methyl-phenyl)-6-methyl-N-(5-methylisoxazol-3-yl)-2-thioxo-3,4-dihydro-1H-pyrimid (4S)-4-(3-fluoro-4-methyl-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) 2.85 7.85 -14.66 3 6 0 79 360.414 3 ↓
Hi High (pH 8-9.5) 2.65 7.25 -36.62 2 6 -1 86 359.406 3 ↓

Analogs

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Popular Name: (4S)-4-(4-methoxy-3,5-dimethyl-phenyl)-6-methyl-N-(5-methylisoxazol-3-yl)-2-thioxo-3,4-dihydro-1H-py (4S)-4-(4-methoxy-3,5-dimethyl-p…

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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) 3.12 7.85 -14.51 3 7 0 88 386.477 4 ↓
Hi High (pH 8-9.5) 2.92 7.25 -36.85 2 7 -1 95 385.469 4 ↓

Parameters Provided:

ring.id = 189407
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 = 189407 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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