UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: ethyl-trimethyl-3'-[3-(trifluoromethyl)phenyl]spiro[BLAH-BLAH,2'-thiazolidine]-4'-dione ethyl-trimethyl-3'-[3-(trifluoro…

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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) 5.59 13.85 -12.44 0 4 0 41 472.532 3 ↓

Analogs

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Popular Name: ethyl-trimethyl-3'-[3-(trifluoromethyl)phenyl]spiro[BLAH-BLAH,2'-thiazolidine]-4'-dione ethyl-trimethyl-3'-[3-(trifluoro…

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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) 5.59 13.83 -15.77 0 4 0 41 472.532 3 ↓

Analogs

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Popular Name: 3'-(3,4-dichlorophenyl)-ethyl-trimethyl-spiro[BLAH-BLAH,2'-thiazolidine]-4'-dione 3'-(3,4-dichlorophenyl)-ethyl-tr…

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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) 6.00 13.82 -10.31 0 4 0 41 473.425 2 ↓

Analogs

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Popular Name: 3'-(3,4-dichlorophenyl)-ethyl-trimethyl-spiro[BLAH-BLAH,2'-thiazolidine]-4'-dione 3'-(3,4-dichlorophenyl)-ethyl-tr…

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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) 6.00 13.81 -13.41 0 4 0 41 473.425 2 ↓

Analogs

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Popular Name: 3'-(3,4-dichlorophenyl)-methoxy-trimethyl-spiro[BLAH-BLAH,2'-thiazolidine]-4'-dione 3'-(3,4-dichlorophenyl)-methoxy-…

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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) 5.15 11.7 -11.34 0 5 0 50 475.397 2 ↓

Analogs

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Popular Name: 3'-(3,4-dichlorophenyl)-methoxy-trimethyl-spiro[BLAH-BLAH,2'-thiazolidine]-4'-dione 3'-(3,4-dichlorophenyl)-methoxy-…

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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) 5.15 11.68 -13.59 0 5 0 50 475.397 2 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 5.27 14.42 -14.21 0 6 0 67 476.598 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 5.27 14.42 -14.31 0 6 0 67 476.598 5 ↓

Analogs

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Popular Name: 3'-(2,3-dihydro-1,4-benzodioxin-6-yl)-ethoxy-trimethyl-spiro[BLAH-BLAH,2'-thiazolidine]-4'-dione 3'-(2,3-dihydro-1,4-benzodioxin-…

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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) 3.75 10.74 -17.8 0 7 0 68 478.57 3 ↓

Analogs

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Popular Name: 3'-(2,3-dihydro-1,4-benzodioxin-6-yl)-ethoxy-trimethyl-spiro[BLAH-BLAH,2'-thiazolidine]-4'-dione 3'-(2,3-dihydro-1,4-benzodioxin-…

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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) 3.75 10.76 -16.43 0 7 0 68 478.57 3 ↓

Parameters Provided:

ring.id = 111739
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 = 111739 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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