UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4890980
4890980

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Popular Name: (2-ethyl-2-methyl-4-phenyl-5-thioxo-imidazol-1-yl)-(4-fluorophenyl)-methanone (2-ethyl-2-methyl-4-phenyl-5-thi…

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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) 2.71 -0.88 -12.39 0 3 0 32 340.423 3 ↓

Analogs

4890974
4890974

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Popular Name: (2-ethyl-2-methyl-4-phenyl-5-thioxo-imidazol-1-yl)-(4-fluorophenyl)-methanone (2-ethyl-2-methyl-4-phenyl-5-thi…

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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) 2.71 -1.25 -12.6 0 3 0 32 340.423 3 ↓

Analogs

4891608
4891608

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Popular Name: (2,2-dimethyl-4-phenyl-5-thioxo-imidazol-1-yl)-(4-fluorophenyl)-methanone (2,2-dimethyl-4-phenyl-5-thioxo-…

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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) 1.65 -1.2 -13.3 0 3 0 32 326.396 2 ↓

Analogs

4891950
4891950

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Popular Name: (4-chlorophenyl)-(2,2-dimethyl-4-phenyl-5-thioxo-imidazol-1-yl)-methanone (4-chlorophenyl)-(2,2-dimethyl-4…

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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) 2.16 -2.08 -12.89 0 3 0 32 342.851 2 ↓

Analogs

4892063
4892063

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Popular Name: (2,2-dimethyl-4-phenyl-5-thioxo-imidazol-1-yl)-(3,4,5-trimethoxyphenyl)-methanone (2,2-dimethyl-4-phenyl-5-thioxo-…

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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) 1.11 -0.7 -8.67 0 6 0 60 398.484 5 ↓

Parameters Provided:

ring.id = 249815
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 = 249815 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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