UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-phenyl]methylene]-3-methyl-2-thioxo-thiazolidin-4-one 5-[[4-[(2,4-dichlorophenyl)metho…

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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) 4.42 -0.37 -9.96 0 4 0 40 440.373 5 ↓

Analogs

13602795
13602795
28360280
28360280
28364466
28364466
60040160
60040160
1204181
1204181

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Popular Name: 2-[(5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl] 2-[(5Z)-5-[[4-[(4-chlorophenyl)m…

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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 10.9 -57.27 0 6 -1 81 448.929 7 ↓

Analogs

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Popular Name: 3-[(5Z)-5-[[3-methoxy-4-[(4-methoxycarbonylphenyl)methoxy]phenyl]methylene]-4-oxo-2-thioxo-thiazolid 3-[(5Z)-5-[[3-methoxy-4-[(4-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) 2.82 11.48 -59.88 0 8 -1 107 486.547 10 ↓

Analogs

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Popular Name: 5-[(5E)-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]pentanoic 5-[(5E)-5-[[4-[(2-fluorophenyl)m…

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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) 3.95 13.03 -55.98 0 5 -1 71 444.529 9 ↓

Analogs

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Popular Name: 5-[(5E)-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]pentanoic 5-[(5E)-5-[[4-[(3-fluorophenyl)m…

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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) 3.98 12.93 -58.35 0 5 -1 71 444.529 9 ↓

Analogs

23390310
23390310

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Popular Name: 2-[(5E)-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic 2-[(5E)-5-[[4-[(2-fluorophenyl)m…

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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) 2.91 10.99 -58.26 0 5 -1 71 402.448 6 ↓

Analogs

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Popular Name: 2-[(5E)-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic 2-[(5E)-5-[[4-[(3-fluorophenyl)m…

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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) 2.93 10.89 -58 0 5 -1 71 402.448 6 ↓

Analogs

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Popular Name: 2-[(5Z)-5-[(4-benzyloxy-5-methoxy-2-nitro-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic 2-[(5Z)-5-[(4-benzyloxy-5-methox…

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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 11.11 -54.96 0 9 -1 126 459.481 8 ↓

Analogs

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Popular Name: 5-[4-(benzyloxy)-3-ethoxy-5-iodobenzylidene]-2-thioxo-1,3-thiazolidin-4-one 5-[4-(benzyloxy)-3-ethoxy-5-iodo…

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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) 4.65 -2.46 -9.45 1 4 0 51 497.379 6 ↓

Analogs

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Popular Name: 5-[(4-benzyloxy-3-chloro-phenyl)methylene]-2-thioxo-thiazolidin-4-one 5-[(4-benzyloxy-3-chloro-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) 4.08 -2.26 -12.92 1 3 0 42 361.875 4 ↓

Analogs

12419466
12419466
13896242
13896242
15015193
15015193
16406694
16406694

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Popular Name: (5E)-5-[3-ethoxy-4-(4-methylbenzyl)oxy-benzylidene]-2-thioxo-thiazolidin-4-one (5E)-5-[3-ethoxy-4-(4-methylbenz…

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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) 3.89 -1.76 -12.24 1 4 0 51 385.51 6 ↓

Analogs

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Popular Name: 4-[[2-chloro-4-[(Z)-[4-keto-3-(2-methoxyethyl)-2-thioxo-thiazolidin-5-ylidene]methyl]phenoxy]methyl] 4-[[2-chloro-4-[(Z)-[4-keto-3-(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) 4.04 -1.04 -58.34 0 6 -1 80 462.956 8 ↓

Analogs

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Popular Name: (5Z)-5-[3,5-dichloro-4-(3-fluorobenzyl)oxy-benzylidene]-3-(2-methoxyethyl)-2-thioxo-thiazolidin-4-on (5Z)-5-[3,5-dichloro-4-(3-fluoro…

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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) 4.88 0.02 -11.69 0 4 0 40 472.39 7 ↓

Analogs

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Popular Name: (5Z)-3-allyl-5-[4-(4-bromobenzyl)oxybenzylidene]-2-thioxo-thiazolidin-4-one (5Z)-3-allyl-5-[4-(4-bromobenzyl…

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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) 5.00 -0.55 -9.74 0 3 0 31 446.391 6 ↓

Analogs

13940040
13940040
13941951
13941951
1219432
1219432

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Popular Name: 5-[[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methylene]-2-thioxo-thiazolidin-4-one 5-[[3-chloro-4-[(4-fluorophenyl)…

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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) 4.03 -1.11 -12.25 1 4 0 51 409.891 5 ↓

Analogs

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Popular Name: 5-[(4-benzyloxy-3-bromo-phenyl)methylene]-2-thioxo-thiazolidin-4-one 5-[(4-benzyloxy-3-bromo-phenyl)m…

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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) 4.21 -2.85 -12.84 1 3 0 42 406.326 4 ↓

Analogs

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Popular Name: (5Z)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylene]-2-thioxo-thiazolidin-4-one (5Z)-5-[[4-[(2-chlorophenyl)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) 4.11 9 -9.72 1 3 0 42 361.875 4 ↓

Parameters Provided:

ring.id = 4743
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 = 4743 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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