UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[4-[(E)-[1-(4-chloro-2-methyl-phenyl)-3-methyl-5-oxo-2-thioxo-imidazolidin-4-ylidene]methyl]phenox 2-[4-[(E)-[1-(4-chloro-2-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) 3.06 13.08 -58.02 0 6 -1 76 415.878 5 ↓

Analogs

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Popular Name: (5E)-3-(3,4-dichlorophenyl)-5-[[3-(2-hydroxyethoxy)phenyl]methylene]-1-methyl-2-thioxo-imidazolidin- (5E)-3-(3,4-dichlorophenyl)-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) 3.39 9.69 -16.4 1 5 0 56 423.321 5 ↓

Analogs

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Popular Name: methyl 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) 1.89 9.62 -23.25 1 7 0 83 412.467 7 ↓

Analogs

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Popular Name: (5E)-5-[[3-(2-hydroxyethoxy)phenyl]methylene]-1-methyl-3-(2-methyl-4-nitro-phenyl)-2-thioxo-imidazol (5E)-5-[[3-(2-hydroxyethoxy)phen…

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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) 2.44 10.38 -21.49 1 8 0 102 413.455 6 ↓

Analogs

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Popular Name: (5E)-5-[(2,3-dihydroxyphenyl)methylene]-3-(4-methoxy-2-nitro-phenyl)-1-methyl-2-thioxo-imidazolidin- (5E)-5-[(2,3-dihydroxyphenyl)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) 1.88 7.51 -26.54 2 9 0 122 401.4 4 ↓
Hi High (pH 8-9.5) 1.88 7.99 -45.85 1 9 -1 125 400.392 4 ↓
Hi High (pH 8-9.5) 1.88 7.98 -51.38 1 9 -1 125 400.392 4 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.26 10.57 -22.72 1 7 0 83 426.494 8 ↓

Analogs

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Popular Name: (5E)-3-(4-chloro-2-methyl-phenyl)-1-methyl-5-[(4-methylsulfonylphenyl)methylene]-2-thioxo-imidazolid (5E)-3-(4-chloro-2-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) 2.63 10.66 -23.42 0 5 0 61 420.943 3 ↓

Analogs

21698058
21698058
21698084
21698084

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Popular Name: (5Z)-5-[(4-methoxyphenyl)methylene]-3-(o-tolyl)-2-sulfanyl-imidazol-4-one (5Z)-5-[(4-methoxyphenyl)methyle…

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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) 3.09 10.65 -14.52 1 4 0 47 324.405 3 ↓

Analogs

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Popular Name: acetic-acid-[5-[(Z)-(5-keto-1-phenyl-2-thioxo-imidazolidin-4-ylidene)methyl]-2-methoxy-benzyl]-ester acetic-acid-[5-[(Z)-(5-keto-1-ph…

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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) 2.45 1.3 -16.58 1 6 0 73 382.441 6 ↓

Analogs

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Popular Name: (5E)-5-(3-ethoxy-4-hydroxy-benzylidene)-3-(m-tolyl)-2-thioxo-4-imidazolidinone (5E)-5-(3-ethoxy-4-hydroxy-benzy…

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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) 2.77 8.69 -21.18 2 5 0 67 354.431 4 ↓

Analogs

2828328
2828328
6007686
6007686
6962906
6962906
13914656
13914656
32111793
32111793

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Popular Name: (5E)-5-(4-allyloxy-2-chloro-3-methoxy-benzylidene)-1-methyl-3-phenyl-2-thioxo-4-imidazolidinone (5E)-5-(4-allyloxy-2-chloro-3-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) 3.58 1.95 -13.38 0 5 0 45 414.914 6 ↓

Parameters Provided:

ring.id = 97001
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 = 97001 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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