UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: methyl 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) 3.17 9.02 -13.39 1 6 0 75 357.435 6 ↓

Analogs

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Popular Name: methyl 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) 3.58 10.44 -12.69 1 6 0 75 371.462 6 ↓
Lo Low (pH 4.5-6) 3.58 10.01 -48.46 2 6 1 76 372.47 6 ↓

Analogs

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Popular Name: N-[3-[[(1S)-1-(4-hydroxy-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)ethyl]amino]-4-methoxy-phenyl]acet N-[3-[[(1S)-1-(4-hydroxy-5,6-dim…

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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) 2.47 5.16 -18.39 3 7 0 96 386.477 5 ↓

Analogs

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Popular Name: N-[3-[[(1R)-1-(4-hydroxy-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)ethyl]amino]-4-methoxy-phenyl]acet N-[3-[[(1R)-1-(4-hydroxy-5,6-dim…

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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) 2.47 5.18 -18.06 3 7 0 96 386.477 5 ↓

Analogs

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Popular Name: 2-[(1R)-1-(3-iodoanilino)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one 2-[(1R)-1-(3-iodoanilino)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) 4.32 7.96 -10.62 2 4 0 58 425.295 3 ↓

Analogs

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Popular Name: 2-[(1S)-1-(3-iodoanilino)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one 2-[(1S)-1-(3-iodoanilino)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) 4.32 7.96 -10.61 2 4 0 58 425.295 3 ↓

Analogs

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Popular Name: 2-[(1R)-1-(4-chloro-3-fluoro-anilino)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one 2-[(1R)-1-(4-chloro-3-fluoro-ani…

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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) 4.03 7.42 -12.62 2 4 0 58 351.834 3 ↓

Analogs

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Popular Name: 2-[(1S)-1-(4-chloro-3-fluoro-anilino)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one 2-[(1S)-1-(4-chloro-3-fluoro-ani…

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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) 4.03 7.43 -12.64 2 4 0 58 351.834 3 ↓

Analogs

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Popular Name: 2-[(1R)-1-[3-(isopropoxymethyl)anilino]ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one 2-[(1R)-1-[3-(isopropoxymethyl)a…

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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) 3.93 8.3 -11.2 2 5 0 67 371.506 6 ↓

Parameters Provided:

ring.id = 181247
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 = 181247 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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