UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-cyanopropyl 3-cyanopropyl

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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) 3.66 11.81 -16.89 0 5 0 76 383.498 7 ↓

Analogs

39482753
39482753
39482774
39482774
39482776
39482776
39482778
39482778
3511801
3511801

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Popular Name: [(1R)-2-(dimethylamino)-1-methyl-2-oxo-ethyl] [(1R)-2-(dimethylamino)-1-methyl…

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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) 3.21 11.28 -17.33 0 6 0 72 415.54 6 ↓

Analogs

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Popular Name: 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylaniline 2-(5,6-dimethylthieno[2,3-d]pyri…

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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) 3.59 7.09 -7.98 2 3 0 52 287.413 2 ↓

Analogs

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Popular Name: 6-ethyl-4-(2-methoxyphenyl)sulfanyl-thieno[2,3-d]pyrimidine 6-ethyl-4-(2-methoxyphenyl)sulfa…

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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) 4.36 9.04 -9.1 0 3 0 35 302.424 4 ↓

Analogs

37995910
37995910

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Popular Name: 4-(2-methoxyphenyl)sulfanylthieno[2,3-d]pyrimidine 4-(2-methoxyphenyl)sulfanylthien…

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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) 3.56 7.44 -9.69 0 3 0 35 274.37 3 ↓

Analogs

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Popular Name: 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzoic 4-(5,6-dimethylthieno[2,3-d]pyri…

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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) 4.06 9.68 -51.34 0 4 -1 66 315.399 3 ↓

Analogs

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Popular Name: 4-thieno[2,3-d]pyrimidin-4-ylsulfanylbenzoic 4-thieno[2,3-d]pyrimidin-4-ylsul…

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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) 3.46 8.64 -50.29 0 4 -1 66 287.345 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylaniline 4-(5,6-dimethylthieno[2,3-d]pyri…

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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) 3.23 7.02 -8.81 2 3 0 52 287.413 2 ↓

Analogs

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Popular Name: 4-thieno[2,3-d]pyrimidin-4-ylsulfanylaniline 4-thieno[2,3-d]pyrimidin-4-ylsul…

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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) 2.63 5.98 -8.33 2 3 0 52 259.359 2 ↓

Analogs

8063193
8063193

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Popular Name: 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-3,5-difluoro-aniline 4-(5,6-dimethylthieno[2,3-d]pyri…

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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) 3.41 7.09 -11.1 2 3 0 52 323.393 2 ↓

Analogs

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Popular Name: 3,5-difluoro-4-thieno[2,3-d]pyrimidin-4-ylsulfanyl-aniline 3,5-difluoro-4-thieno[2,3-d]pyri…

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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) 2.81 6.06 -10.77 2 3 0 52 295.339 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-thieno[2,3-d]pyrimidin-4-ylsulfanylaniline 2-thieno[2,3-d]pyrimidin-4-ylsul…

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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 6.05 -7.68 2 3 0 52 259.359 2 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 104095 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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