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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2787149
2787149

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Popular Name: (5E)-5-[(1,3-dimethylpyrazol-4-yl)methylene]-3-phenethyl-2-thioxo-thiazolidin-4-one (5E)-5-[(1,3-dimethylpyrazol-4-y…

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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) 2.30 -0.23 -10.27 0 4 0 39 343.477 4 ↓

Analogs

2797787
2797787
2747903
2747903
2784026
2784026

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Popular Name: (5E)-5-[(1-methylpyrazol-4-yl)methylene]-3-phenethyl-2-thioxo-thiazolidin-4-one (5E)-5-[(1-methylpyrazol-4-yl)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) 2.07 -0.34 -13.87 0 4 0 39 329.45 4 ↓

Analogs

2787149
2787149

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-[(1-ethylpyrazol-4-yl)methylene]-3-phenethyl-2-thioxo-thiazolidin-4-one (5E)-5-[(1-ethylpyrazol-4-yl)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) 2.45 -0.29 -13.72 0 4 0 39 343.477 5 ↓

Analogs

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Popular Name: (2S)-2-[(5Z)-5-[(1,5-dimethylpyrazol-4-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]-3-phenyl-prop (2S)-2-[(5Z)-5-[(1,5-dimethylpyr…

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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) 1.53 -0.03 -63.88 0 6 -1 79 386.478 5 ↓

Analogs

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Popular Name: (2R)-2-[(5Z)-5-[(1,5-dimethylpyrazol-4-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]-3-phenyl-prop (2R)-2-[(5Z)-5-[(1,5-dimethylpyr…

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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) 1.53 -0.04 -63.91 0 6 -1 79 386.478 5 ↓

Analogs

6637004
6637004

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Popular Name: (2R)-2-[(5E)-5-[(1-ethylpyrazol-4-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]-3-phenyl-propionat (2R)-2-[(5E)-5-[(1-ethylpyrazol-…

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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) 1.68 -0.26 -67.78 0 6 -1 79 386.478 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(5E)-4-keto-5-[(1-methylpyrazol-4-yl)methylene]-2-thioxo-thiazolidin-3-yl]-3-phenyl-propiona (2S)-2-[(5E)-4-keto-5-[(1-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) 1.31 -0.31 -65.78 0 6 -1 79 372.451 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(5E)-4-keto-5-[(1-methylpyrazol-4-yl)methylene]-2-thioxo-thiazolidin-3-yl]-3-phenyl-propiona (2R)-2-[(5E)-4-keto-5-[(1-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) 1.31 -0.31 -67.85 0 6 -1 79 372.451 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(5E)-5-[(1,3-dimethylpyrazol-4-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]-3-phenyl-prop (2S)-2-[(5E)-5-[(1,3-dimethylpyr…

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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) 1.53 -0.2 -59.64 0 6 -1 79 386.478 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(5E)-5-[(1,3-dimethylpyrazol-4-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]-3-phenyl-prop (2R)-2-[(5E)-5-[(1,3-dimethylpyr…

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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) 1.53 -0.21 -58.15 0 6 -1 79 386.478 5 ↓

Parameters Provided:

ring.id = 234814
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 = 234814 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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