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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (5Z)-3-[(3R)-1,1-dioxothiolan-3-yl]-5-[(4-iodophenyl)methylene]-2-thioxo-thiazolidin-4-one (5Z)-3-[(3R)-1,1-dioxothiolan-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) 2.50 6.44 -15.78 0 4 0 56 465.359 2 ↓

Analogs

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Popular Name: (5Z)-3-[(3S)-1,1-dioxothiolan-3-yl]-5-[(4-iodophenyl)methylene]-2-thioxo-thiazolidin-4-one (5Z)-3-[(3S)-1,1-dioxothiolan-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) 2.50 6.34 -15.17 0 4 0 56 465.359 2 ↓

Analogs

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Popular Name: (5Z)-5-[(3-chlorophenyl)methylene]-3-[(3R)-1,1-dioxothiolan-3-yl]-2-thioxo-thiazolidin-4-one (5Z)-5-[(3-chlorophenyl)methylen…

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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) 2.07 5.87 -17.31 0 4 0 56 373.908 2 ↓

Analogs

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Popular Name: (5Z)-5-[(3-chlorophenyl)methylene]-3-[(3S)-1,1-dioxothiolan-3-yl]-2-thioxo-thiazolidin-4-one (5Z)-5-[(3-chlorophenyl)methylen…

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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) 2.07 5.86 -15.09 0 4 0 56 373.908 2 ↓

Analogs

33933330
33933330
4811813
4811813

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Popular Name: (5Z)-3-[(3R)-1,1-dioxothiolan-3-yl]-5-[(4-propoxyphenyl)methylene]-2-thioxo-thiazolidin-4-one (5Z)-3-[(3R)-1,1-dioxothiolan-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) 2.35 6.38 -16.1 0 5 0 65 397.543 5 ↓

Analogs

33914500
33914500
33933330
33933330
4811813
4811813
8739314
8739314

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Popular Name: (5Z)-5-[(4-butoxyphenyl)methylene]-3-[(3R)-1,1-dioxothiolan-3-yl]-2-thioxo-thiazolidin-4-one (5Z)-5-[(4-butoxyphenyl)methylen…

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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 7.16 -16 0 5 0 65 411.57 6 ↓

Analogs

1162607
1162607
6481171
6481171

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Popular Name: (5Z)-5-[(4-butoxy-3-methoxy-phenyl)methylene]-3-[(3R)-1,1-dioxothiolan-3-yl]-2-thioxo-thiazolidin-4- (5Z)-5-[(4-butoxy-3-methoxy-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) 2.50 6.98 -17.18 0 6 0 75 441.596 7 ↓

Analogs

1162607
1162607
6481171
6481171

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Popular Name: (5Z)-5-[(4-butoxy-3-methoxy-phenyl)methylene]-3-[(3S)-1,1-dioxothiolan-3-yl]-2-thioxo-thiazolidin-4- (5Z)-5-[(4-butoxy-3-methoxy-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) 2.50 7.08 -17.64 0 6 0 75 441.596 7 ↓

Analogs

33586168
33586168
2376766
2376766
6472280
6472280

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Popular Name: (5Z)-3-[(3R)-1,1-dioxothiolan-3-yl]-5-[(3-methoxy-4-pentoxy-phenyl)methylene]-2-thioxo-thiazolidin-4 (5Z)-3-[(3R)-1,1-dioxothiolan-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) 3.00 7.76 -17.12 0 6 0 75 455.623 8 ↓

Analogs

33586168
33586168
2376766
2376766
6472280
6472280

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Popular Name: (5Z)-3-[(3S)-1,1-dioxothiolan-3-yl]-5-[(3-methoxy-4-pentoxy-phenyl)methylene]-2-thioxo-thiazolidin-4 (5Z)-3-[(3S)-1,1-dioxothiolan-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) 3.00 7.86 -17.66 0 6 0 75 455.623 8 ↓

Analogs

1162607
1162607
6481171
6481171

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Popular Name: (5Z)-3-[(3R)-1,1-dioxothiolan-3-yl]-5-[(4-isopentyloxy-3-methoxy-phenyl)methylene]-2-thioxo-thiazoli (5Z)-3-[(3R)-1,1-dioxothiolan-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) 2.71 7.5 -17.05 0 6 0 75 455.623 7 ↓

Analogs

1162607
1162607

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-[(3S)-1,1-dioxothiolan-3-yl]-5-[(4-isopentyloxy-3-methoxy-phenyl)methylene]-2-thioxo-thiazoli (5Z)-3-[(3S)-1,1-dioxothiolan-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) 2.71 7.68 -18.69 0 6 0 75 455.623 7 ↓

Analogs

33914500
33914500
33933330
33933330
4811813
4811813
8739314
8739314

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-[(3R)-1,1-dioxothiolan-3-yl]-5-[(4-pentoxyphenyl)methylene]-2-thioxo-thiazolidin-4-one (5Z)-3-[(3R)-1,1-dioxothiolan-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) 3.41 7.94 -16.04 0 5 0 65 425.597 7 ↓

Analogs

13125079
13125079
13125080
13125080

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Popular Name: (5E)-3-[(3S)-1,1-diketothiolan-3-yl]-5-(4-methylbenzylidene)-2-thioxo-thiazolidin-4-one (5E)-3-[(3S)-1,1-diketothiolan-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) 1.86 -5.07 -15.25 0 4 0 56 353.49 2 ↓

Parameters Provided:

ring.id = 145460
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 145460 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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