UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[3-butyl-2-(3,5-dichlorophenyl)imino-4-oxo-thiazolidin-5-yl]-N-ethyl-acetamide 2-[3-butyl-2-(3,5-dichlorophenyl…

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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) 4.12 9.03 -7.86 1 5 0 62 402.347 7 ↓

Analogs

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Popular Name: 2-[3-butyl-2-(3,5-dichlorophenyl)imino-4-oxo-thiazolidin-5-yl]-N-ethyl-acetamide 2-[3-butyl-2-(3,5-dichlorophenyl…

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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) 4.12 9.03 -7.59 1 5 0 62 402.347 7 ↓

Analogs

33825357
33825357
36611309
36611309

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Popular Name: 3-Propyl-2-p-tolylimino-thiazolidin-4-one 3-Propyl-2-p-tolylimino-thiazoli…

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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 8.08 -6.24 0 3 0 33 248.351 3 ↓

Analogs

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Popular Name: 3-Ethyl-2-(4-ethyl-phenylimino)-thiazolidin-4-one 3-Ethyl-2-(4-ethyl-phenylimino)-…

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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) 2.95 7.51 -6.81 0 3 0 33 248.351 3 ↓

Analogs

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Popular Name: 2-[(2Z,5S)-2-(4-chlorophenyl)imino-3-ethyl-4-oxo-thiazolidin-5-yl]-N-ethyl-acetamide 2-[(2Z,5S)-2-(4-chlorophenyl)imi…

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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 7 -8.55 1 5 0 62 339.848 5 ↓

Analogs

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Popular Name: 4-[(Z)-(4-ketothiazolidin-2-ylidene)amino]benzonitrile 4-[(Z)-(4-ketothiazolidin-2-ylid…

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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) 1.17 4.26 -8.77 1 4 0 65 217.253 1 ↓

Analogs

4905970
4905970

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Popular Name: (2Z)-2-(2-chlorophenyl)imino-3-ethyl-thiazolidin-4-one (2Z)-2-(2-chlorophenyl)imino-3-e…

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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) 2.66 6.57 -8.16 0 3 0 33 254.742 2 ↓
Ref Reference (pH 7) 2.66 7.29 -7.38 0 3 0 33 254.742 2 ↓

Analogs

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Popular Name: (2Z)-2-(2-ethoxyphenyl)imino-3-ethyl-thiazolidin-4-one (2Z)-2-(2-ethoxyphenyl)imino-3-e…

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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) 2.42 6.26 -9.48 0 4 0 42 264.35 4 ↓

Parameters Provided:

ring.id = 3150
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 = 3150 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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