UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: diethyl diethyl

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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) 4.21 0.27 -10.6 1 6 0 85 427.931 7 ↓

Analogs

11990757
11990757
11990758
11990758
11990759
11990759
4124490
4124490

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Popular Name: dimethyl dimethyl

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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) 2.84 0.5 -12.74 1 7 0 95 395.458 6 ↓

Analogs

11990758
11990758
11990759
11990759
4124490
4124490

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Popular Name: dimethyl dimethyl

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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) 2.84 0.74 -10.48 1 7 0 95 395.458 6 ↓

Analogs

11990759
11990759
4124490
4124490

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Popular Name: dimethyl dimethyl

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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) 2.84 0.29 -14.57 1 7 0 95 395.458 6 ↓

Analogs

4124490
4124490

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Popular Name: dimethyl dimethyl

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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) 2.84 0.18 -10.95 1 7 0 95 395.458 6 ↓

Analogs

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Popular Name: (6S,7R)-2-keto-7-(4-methoxyphenyl)-3,5,6,7-tetrahydrothiopyrano[2,3-d]thiazole-6-carboxylic-acid-eth (6S,7R)-2-keto-7-(4-methoxypheny…

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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) 3.37 -0.89 -14.12 1 5 0 68 351.449 5 ↓

Analogs

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Popular Name: (6R,7R)-2-keto-7-(4-methoxyphenyl)-3,5,6,7-tetrahydrothiopyrano[2,3-d]thiazole-6-carboxylic-acid-eth (6R,7R)-2-keto-7-(4-methoxypheny…

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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) 3.37 -0.64 -9.86 1 5 0 68 351.449 5 ↓

Analogs

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Popular Name: (6S,7S)-2-keto-7-(4-methoxyphenyl)-3,5,6,7-tetrahydrothiopyrano[2,3-d]thiazole-6-carboxylic-acid-eth (6S,7S)-2-keto-7-(4-methoxypheny…

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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) 3.37 -0.64 -9.87 1 5 0 68 351.449 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7S)-2-keto-7-(4-methoxyphenyl)-3,5,6,7-tetrahydrothiopyrano[2,3-d]thiazole-6-carboxylic-acid-eth (6R,7S)-2-keto-7-(4-methoxypheny…

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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) 3.37 -0.82 -8.59 1 5 0 68 351.449 5 ↓

Analogs

8671074
8671074
8671075
8671075
8671076
8671076
8671077
8671077
8672646
8672646

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Popular Name: (6S,7R)-7-(3,4-dimethoxyphenyl)-2-keto-3,5,6,7-tetrahydrothiopyrano[2,3-d]thiazole-6-carboxylic-acid (6S,7R)-7-(3,4-dimethoxyphenyl)-…

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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) 2.96 -0.58 -15.99 1 6 0 77 381.475 6 ↓

Analogs

8671074
8671074
8671075
8671075
8671076
8671076
8671077
8671077
8672646
8672646

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7R)-7-(3,4-dimethoxyphenyl)-2-keto-3,5,6,7-tetrahydrothiopyrano[2,3-d]thiazole-6-carboxylic-acid (6R,7R)-7-(3,4-dimethoxyphenyl)-…

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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) 2.96 -0.32 -12.39 1 6 0 77 381.475 6 ↓

Analogs

8671074
8671074
8671075
8671075
8671076
8671076
8671077
8671077
8672646
8672646

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Popular Name: (6S,7S)-7-(3,4-dimethoxyphenyl)-2-keto-3,5,6,7-tetrahydrothiopyrano[2,3-d]thiazole-6-carboxylic-acid (6S,7S)-7-(3,4-dimethoxyphenyl)-…

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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) 2.96 -0.31 -12.45 1 6 0 77 381.475 6 ↓

Analogs

8671074
8671074
8671075
8671075
8671076
8671076
8671077
8671077
8672646
8672646

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,7S)-7-(3,4-dimethoxyphenyl)-2-keto-3,5,6,7-tetrahydrothiopyrano[2,3-d]thiazole-6-carboxylic-acid (6R,7S)-7-(3,4-dimethoxyphenyl)-…

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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) 2.96 -0.49 -10.84 1 6 0 77 381.475 6 ↓

Parameters Provided:

ring.id = 66131
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 = 66131 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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