UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6563333
6563333
5049827
5049827
5371604
5371604

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Popular Name: 3-isopropyl-5-(2-thienylmethylene)-2-thioxo-thiazolidin-4-one 3-isopropyl-5-(2-thienylmethylen…

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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) 2.53 -0.72 -7.6 0 2 0 22 269.416 2 ↓

Analogs

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Popular Name: N-(3-dimethylaminopropyl)-2-[(5Z)-4-oxo-5-(2-thienylmethylene)-2-thioxo-thiazolidin-3-yl]acetamide N-(3-dimethylaminopropyl)-2-[(5Z…

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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) 1.20 7.99 -47.6 2 5 1 56 370.545 7 ↓

Analogs

4954211
4954211

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Popular Name: (5Z)-3-propyl-5-(2-thenylidene)-2-thioxo-thiazolidin-4-one (5Z)-3-propyl-5-(2-thenylidene)-…

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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) 2.67 -1.05 -7.9 0 2 0 22 269.416 3 ↓

Parameters Provided:

ring.id = 2001
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 = 2001 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=2001&filter.purchasability=annotated

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