UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5E)-3-[(2-fluorophenyl)methyl]-5-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]thiazolidine-2,4-di (5E)-3-[(2-fluorophenyl)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) 2.72 8.06 -16.98 1 8 0 114 404.375 5 ↓

Analogs

9232792
9232792

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Popular Name: (5E)-5-[(3-ethoxy-4-hydroxy-5-nitro-phenyl)methylene]-3-[(4-nitrophenyl)methyl]thiazolidine-2,4-dion (5E)-5-[(3-ethoxy-4-hydroxy-5-ni…

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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) 2.94 9.69 -16.95 1 11 0 160 445.409 7 ↓

Analogs

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Popular Name: 3-(4-fluorobenzyl)-5-{4-hydroxy-3-nitro-5-methoxybenzylidene}-1,3-thiazolidine-2,4-dione 3-(4-fluorobenzyl)-5-{4-hydroxy-…

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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) 2.76 7.79 -15.12 1 8 0 114 404.375 5 ↓
Mid Mid (pH 6-8) 2.76 8.86 -47.12 0 8 -1 117 403.367 5 ↓

Analogs

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Popular Name: 3-benzyl-5-(2-isopropoxy-3-methoxybenzylidene)-1,3-thiazolidine-2,4-dione 3-benzyl-5-(2-isopropoxy-3-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) 3.70 9.96 -7.92 0 5 0 58 383.469 6 ↓

Analogs

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Popular Name: (5Z)-5-(4-chloro-3-nitro-benzylidene)-3-(3-nitrobenzyl)thiazolidine-2,4-quinone (5Z)-5-(4-chloro-3-nitro-benzyli…

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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) 3.65 2.01 -17.94 0 9 0 130 419.802 5 ↓

Analogs

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Popular Name: 5-(4-sec-butoxy-3-iodo-5-methoxybenzylidene)-3-{3-nitrobenzyl}-1,3-thiazolidine-2,4-dione 5-(4-sec-butoxy-3-iodo-5-methoxy…

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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) 5.18 1.61 -13.01 0 8 0 103 568.389 8 ↓

Analogs

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Popular Name: 5-(4-sec-butoxy-3-iodo-5-methoxybenzylidene)-3-{3-nitrobenzyl}-1,3-thiazolidine-2,4-dione 5-(4-sec-butoxy-3-iodo-5-methoxy…

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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) 5.18 1.57 -12.88 0 8 0 103 568.389 8 ↓

Analogs

13546619
13546619

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Popular Name: 5-[(2-hydroxy-3-methoxy-phenyl)methylene]-3-[(3-nitrophenyl)methyl]thiazolidine-2,4-dione 5-[(2-hydroxy-3-methoxy-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) 2.62 0.1 -13.21 1 8 0 114 386.385 5 ↓

Analogs

13546624
13546624

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Popular Name: 4-[[3-[(3-nitrophenyl)methyl]-2,4-dioxo-thiazolidin-5-ylidene]methyl]benzoic 4-[[3-[(3-nitrophenyl)methyl]-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) 2.99 0.97 -54.65 0 8 -1 125 383.361 5 ↓

Analogs

1189704
1189704
2199110
2199110

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Popular Name: 5-[(2-nitrophenyl)methylene]-3-(p-tolylmethyl)thiazolidine-2,4-dione 5-[(2-nitrophenyl)methylene]-3-(…

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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) 3.50 1.66 -8.48 0 6 0 84 354.387 4 ↓

Analogs

15010852
15010852
19898949
19898949
28712513
28712513
1189287
1189287

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Popular Name: 5-benzylidene-3-(p-tolylmethyl)thiazolidine-2,4-dione 5-benzylidene-3-(p-tolylmethyl)t…

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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) 3.59 1.21 -6.49 0 3 0 39 309.39 3 ↓

Analogs

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Popular Name: (5Z)-3-[(2-chlorophenyl)methyl]-5-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]thiazolidine-2,4-di (5Z)-3-[(2-chlorophenyl)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) 3.23 8.06 -16.07 1 8 0 114 420.83 5 ↓

Parameters Provided:

ring.id = 62304
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 = 62304 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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