UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9544215
9544215

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Popular Name: N-[2-[(5Z)-2,4-dioxo-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-3-yl]ethyl]-3-(4-ethylphenyl)p N-[2-[(5Z)-2,4-dioxo-5-[(3,4,5-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) 3.52 9.8 -19.15 1 8 0 96 498.601 11 ↓

Analogs

9779320
9779320
9779321
9779321

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Popular Name: (3R)-3-acetamido-N-[2-[(5E)-5-[(4-methoxyphenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]-3-pheny (3R)-3-acetamido-N-[2-[(5E)-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) 0.81 7.58 -22.53 2 8 0 107 467.547 9 ↓

Analogs

9779320
9779320
9779321
9779321

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Popular Name: (3S)-3-acetamido-N-[2-[(5E)-5-[(4-methoxyphenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]-3-pheny (3S)-3-acetamido-N-[2-[(5E)-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) 0.81 7.68 -22.84 2 8 0 107 467.547 9 ↓

Analogs

14244576
14244576
14046872
14046872
14046873
14046873

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Popular Name: (3S)-3-acetamido-N-[2-[(5Z)-5-[(4-chlorophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]-3-phenyl (3S)-3-acetamido-N-[2-[(5Z)-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) 1.43 8.42 -21.42 2 7 0 97 471.966 8 ↓

Analogs

14244575
14244575

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Popular Name: (3R)-3-acetamido-N-[2-[(5Z)-5-[(4-chlorophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]-3-phenyl (3R)-3-acetamido-N-[2-[(5Z)-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) 1.43 8.44 -21.07 2 7 0 97 471.966 8 ↓

Parameters Provided:

ring.id = 135377
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 = 135377 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=135377&filter.purchasability=annotated

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