UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5E)-3-[(2R)-2-ethylhexyl]-5-[(4-oxo-2-pyrrolidin-1-yl-pyrido[1,2-a]pyrimidin-3-yl)methylene]-2-thio (5E)-3-[(2R)-2-ethylhexyl]-5-[(4…

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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) 4.76 14.38 -15.28 0 6 0 60 470.664 8 ↓

Analogs

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Popular Name: (5E)-3-[(2S)-2-ethylhexyl]-5-[(4-oxo-2-pyrrolidin-1-yl-pyrido[1,2-a]pyrimidin-3-yl)methylene]-2-thio (5E)-3-[(2S)-2-ethylhexyl]-5-[(4…

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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) 4.76 14.02 -15.03 0 6 0 60 470.664 8 ↓

Analogs

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Popular Name: (5E)-3-[(2R)-2-ethylhexyl]-5-[(9-methyl-4-oxo-2-pyrrolidin-1-yl-pyrido[1,2-a]pyrimidin-3-yl)methylen (5E)-3-[(2R)-2-ethylhexyl]-5-[(9…

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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) 5.16 15.15 -14.84 0 6 0 60 484.691 8 ↓

Analogs

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Popular Name: (5E)-3-[(2S)-2-ethylhexyl]-5-[(9-methyl-4-oxo-2-pyrrolidin-1-yl-pyrido[1,2-a]pyrimidin-3-yl)methylen (5E)-3-[(2S)-2-ethylhexyl]-5-[(9…

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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) 5.16 14.76 -14.6 0 6 0 60 484.691 8 ↓

Analogs

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Popular Name: (5E)-3-[(2R)-2-ethylhexyl]-5-[(7-methyl-4-oxo-2-pyrrolidin-1-yl-pyrido[1,2-a]pyrimidin-3-yl)methylen (5E)-3-[(2R)-2-ethylhexyl]-5-[(7…

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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) 5.16 15.04 -14.33 0 6 0 60 484.691 8 ↓

Analogs

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Popular Name: (5E)-3-[(2S)-2-ethylhexyl]-5-[(7-methyl-4-oxo-2-pyrrolidin-1-yl-pyrido[1,2-a]pyrimidin-3-yl)methylen (5E)-3-[(2S)-2-ethylhexyl]-5-[(7…

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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) 5.16 14.66 -14.12 0 6 0 60 484.691 8 ↓

Analogs

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Popular Name: (5E)-3-allyl-5-[(4-oxo-2-pyrrolidin-1-yl-pyrido[1,2-a]pyrimidin-3-yl)methylene]-2-thioxo-thiazolidin (5E)-3-allyl-5-[(4-oxo-2-pyrroli…

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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) 2.21 10.53 -16.41 0 6 0 60 398.513 4 ↓

Analogs

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Popular Name: (5E)-3-allyl-5-[(9-methyl-4-oxo-2-pyrrolidin-1-yl-pyrido[1,2-a]pyrimidin-3-yl)methylene]-2-thioxo-th (5E)-3-allyl-5-[(9-methyl-4-oxo-…

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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) 2.61 11.74 -15.36 0 6 0 60 412.54 4 ↓

Analogs

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Popular Name: (5E)-3-allyl-5-[(7-methyl-4-oxo-2-pyrrolidin-1-yl-pyrido[1,2-a]pyrimidin-3-yl)methylene]-2-thioxo-th (5E)-3-allyl-5-[(7-methyl-4-oxo-…

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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) 2.61 11.58 -14.93 0 6 0 60 412.54 4 ↓

Analogs

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Popular Name: (5E)-3-(2-methoxyethyl)-5-[(4-oxo-2-pyrrolidin-1-yl-pyrido[1,2-a]pyrimidin-3-yl)methylene]-2-thioxo- (5E)-3-(2-methoxyethyl)-5-[(4-ox…

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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) 1.55 9.56 -17 0 7 0 69 416.528 5 ↓

Analogs

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Popular Name: (5E)-3-(2-methoxyethyl)-5-[(7-methyl-4-oxo-2-pyrrolidin-1-yl-pyrido[1,2-a]pyrimidin-3-yl)methylene]- (5E)-3-(2-methoxyethyl)-5-[(7-me…

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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) 1.95 10.21 -16.08 0 7 0 69 430.555 5 ↓

Analogs

8915499
8915499

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Popular Name: (5E)-3-(3-methoxypropyl)-5-[(4-oxo-2-pyrrolidin-1-yl-pyrido[1,2-a]pyrimidin-3-yl)methylene]-2-thioxo (5E)-3-(3-methoxypropyl)-5-[(4-o…

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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) 1.82 10.19 -17.38 0 7 0 69 430.555 6 ↓

Analogs

8915499
8915499

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Popular Name: (5E)-3-(3-methoxypropyl)-5-[(7-methyl-4-oxo-2-pyrrolidin-1-yl-pyrido[1,2-a]pyrimidin-3-yl)methylene] (5E)-3-(3-methoxypropyl)-5-[(7-m…

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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) 2.22 10.84 -16.47 0 7 0 69 444.582 6 ↓

Parameters Provided:

ring.id = 13414
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 = 13414 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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