UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[2-(4-fluorophenyl)-2-oxo-ethyl]-2,5,6-trimethyl-thieno[3,2-e]pyrimidin-4-one 3-[2-(4-fluorophenyl)-2-oxo-ethy…

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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 9.79 -19.05 0 4 0 52 330.384 3 ↓

Analogs

11991090
11991090

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Popular Name: 5,6-dimethyl-3-[(1S)-1-methyl-2-oxo-2-phenyl-ethyl]thieno[3,2-e]pyrimidin-4-one 5,6-dimethyl-3-[(1S)-1-methyl-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) 2.92 0.86 -12.33 0 4 0 52 312.394 3 ↓

Analogs

11991089
11991089

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Popular Name: 5,6-dimethyl-3-[(1R)-1-methyl-2-oxo-2-phenyl-ethyl]thieno[3,2-e]pyrimidin-4-one 5,6-dimethyl-3-[(1R)-1-methyl-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) 2.92 0.86 -12.05 0 4 0 52 312.394 3 ↓

Analogs

11991104
11991104
11991123
11991123
11991124
11991124

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Popular Name: isopropyl isopropyl

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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) 3.51 1.84 -12.52 0 6 0 78 384.457 6 ↓

Analogs

11991123
11991123
11991124
11991124
11991103
11991103

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Popular Name: isopropyl isopropyl

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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) 3.51 1.84 -12.25 0 6 0 78 384.457 6 ↓

Analogs

11991124
11991124
6497635
6497635
11991103
11991103
11991104
11991104

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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) 3.15 1.58 -12.37 0 6 0 78 370.43 6 ↓

Analogs

6497635
6497635
11991103
11991103
11991104
11991104

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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) 3.15 1.58 -12.11 0 6 0 78 370.43 6 ↓

Analogs

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Popular Name: isobutyl isobutyl

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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) 4.34 1.5 -19.84 0 6 0 78 463.353 7 ↓

Analogs

1291413
1291413

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Popular Name: isopropyl isopropyl

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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) 3.31 2.86 -21.09 0 6 0 78 388.42 6 ↓

Analogs

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Popular Name: 6-ethyl-3-[2-(4-fluorophenyl)-2-oxo-ethyl]thieno[3,2-e]pyrimidin-4-one 6-ethyl-3-[2-(4-fluorophenyl)-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) 2.92 1.75 -17.96 0 4 0 52 316.357 4 ↓

Analogs

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Popular Name: 3-[2-(4-fluorophenyl)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxamide 3-[2-(4-fluorophenyl)-2-oxo-ethy…

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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) 1.56 -1.22 -23.23 2 6 0 95 345.355 4 ↓

Analogs

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Popular Name: N-[4-[2-(6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]propanamide N-[4-[2-(6-ethyl-4-oxo-thieno[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) 2.81 9.63 -21.97 1 6 0 81 369.446 6 ↓

Analogs

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Popular Name: N-[4-[2-(6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]-3-methyl-butanamide N-[4-[2-(6-ethyl-4-oxo-thieno[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) 3.58 10.98 -21.25 1 6 0 81 397.5 7 ↓

Analogs

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Popular Name: N-[4-[2-(6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]-2,2-dimethyl-propanamide N-[4-[2-(6-ethyl-4-oxo-thieno[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) 3.63 10.84 -21.09 1 6 0 81 397.5 6 ↓

Analogs

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Popular Name: N-[4-[2-(6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]butanamide N-[4-[2-(6-ethyl-4-oxo-thieno[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) 3.37 10.4 -22.55 1 6 0 81 383.473 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[2-(6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]-2-methyl-propanamide N-[4-[2-(6-ethyl-4-oxo-thieno[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) 3.06 10.28 -21.42 1 6 0 81 383.473 6 ↓

Parameters Provided:

ring.id = 28171
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 = 28171 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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