UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36636002
36636002

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Popular Name: (2R)-2-[(3-chloro-4-methyl-phenyl)methyl]-5,6-dihydroimidazo[2,1-b]thiazol-3-one (2R)-2-[(3-chloro-4-methyl-pheny…

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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) 2.67 6.64 -7.37 0 3 0 33 280.78 2 ↓

Analogs

36636001
36636001

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Popular Name: (2S)-2-[(3-chloro-4-methyl-phenyl)methyl]-5,6-dihydroimidazo[2,1-b]thiazol-3-one (2S)-2-[(3-chloro-4-methyl-pheny…

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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) 2.67 6.64 -6.86 0 3 0 33 280.78 2 ↓

Analogs

36636004
36636004

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Popular Name: (2R)-2-[(2,3-dichlorophenyl)methyl]-5,6-dihydroimidazo[2,1-b]thiazol-3-one (2R)-2-[(2,3-dichlorophenyl)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) 2.87 6.16 -8.61 0 3 0 33 301.198 2 ↓

Analogs

36636003
36636003

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Popular Name: (2S)-2-[(2,3-dichlorophenyl)methyl]-5,6-dihydroimidazo[2,1-b]thiazol-3-one (2S)-2-[(2,3-dichlorophenyl)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) 2.87 6.42 -7.71 0 3 0 33 301.198 2 ↓

Analogs

36636008
36636008

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Popular Name: (2R)-2-[(4-bromophenyl)methyl]-5,6-dihydroimidazo[2,1-b]thiazol-3-one (2R)-2-[(4-bromophenyl)methyl]-5…

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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) 2.42 6.17 -6.97 0 3 0 33 311.204 2 ↓

Analogs

36636007
36636007

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Popular Name: (2S)-2-[(4-bromophenyl)methyl]-5,6-dihydroimidazo[2,1-b]thiazol-3-one (2S)-2-[(4-bromophenyl)methyl]-5…

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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) 2.42 6.17 -7 0 3 0 33 311.204 2 ↓

Parameters Provided:

ring.id = 101648
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 = 101648 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=101648&filter.purchasability=annotated

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