UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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) 4.37 9.99 -12.32 0 8 0 97 428.466 9 ↓

Analogs

710276
710276

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Popular Name: 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzene-1,3-dicarboxylic-acid-dimethyl-ester 5-(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) 4.04 1.66 -11.3 0 7 0 87 372.402 6 ↓

Analogs

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Popular Name: 4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-2,5-dimethyl-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) 4.01 6.68 -8.36 2 4 0 61 299.399 2 ↓

Analogs

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Popular Name: 2,5-dimethyl-4-thieno[2,3-d]pyrimidin-4-yloxy-aniline 2,5-dimethyl-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) 3.41 5.24 -8.41 2 4 0 61 271.345 2 ↓

Analogs

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

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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 5.74 -9.07 2 4 0 61 305.79 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-thieno[2,3-d]pyrimidin-4-yloxy-aniline 4-chloro-3-thieno[2,3-d]pyrimidi…

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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) 2.86 4.3 -9.11 2 4 0 61 277.736 2 ↓

Analogs

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Popular Name: 3-amino-4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-benzonitrile 3-amino-4-(5,6-dimethylthieno[2,…

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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) 2.94 5.7 -8.53 2 5 0 85 296.355 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-thieno[2,3-d]pyrimidin-4-yloxy-benzonitrile 3-amino-4-thieno[2,3-d]pyrimidin…

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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) 2.34 4.27 -8.69 2 5 0 85 268.301 2 ↓

Analogs

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Popular Name: 5-amino-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-benzonitrile 5-amino-2-(5,6-dimethylthieno[2,…

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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 5.58 -12.28 2 5 0 85 296.355 2 ↓

Analogs

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Popular Name: 5-amino-2-thieno[2,3-d]pyrimidin-4-yloxy-benzonitrile 5-amino-2-thieno[2,3-d]pyrimidin…

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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) 1.93 4.14 -12.13 2 5 0 85 268.301 2 ↓

Analogs

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Popular Name: 4-thieno[2,3-d]pyrimidin-4-yloxy-3-(trifluoromethyl)aniline 4-thieno[2,3-d]pyrimidin-4-yloxy…

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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) 3.07 4.72 -10.07 2 4 0 61 311.288 3 ↓

Analogs

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Popular Name: 4-(3-chloro-4-nitro-phenoxy)thieno[2,3-d]pyrimidine 4-(3-chloro-4-nitro-phenoxy)thie…

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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) 3.74 7.01 -8.6 0 6 0 81 307.718 3 ↓

Analogs

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Popular Name: 4-(2-bromo-4-methyl-phenoxy)-5,6-dimethyl-thieno[2,3-d]pyrimidine 4-(2-bromo-4-methyl-phenoxy)-5,6…

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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) 4.96 8.63 -8.02 0 3 0 35 349.253 2 ↓

Analogs

36667389
36667389
6541593
6541593

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Popular Name: 3-chloro-4-thieno[2,3-d]pyrimidin-4-yloxy-benzaldehyde 3-chloro-4-thieno[2,3-d]pyrimidi…

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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) 3.57 6.16 -13.19 0 4 0 52 290.731 3 ↓

Analogs

43473138
43473138

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Popular Name: 4-(3-fluoro-4-nitro-phenoxy)thieno[2,3-d]pyrimidine 4-(3-fluoro-4-nitro-phenoxy)thie…

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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 6.66 -9.7 0 6 0 81 291.263 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-3-thieno[2,3-d]pyrimidin-4-yloxy-benzamide N-methyl-3-thieno[2,3-d]pyrimidi…

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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) 2.34 4.19 -16.02 1 5 0 64 285.328 3 ↓

Parameters Provided:

ring.id = 124188
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 = 124188 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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