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) 1.50 5.61 -22.55 1 8 0 107 391.449 6 ↓

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) 1.50 5.64 -22.68 1 8 0 107 391.449 6 ↓

Analogs

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Popular Name: 4-[(4-butylphenyl)aminomethylene]-2-(1,1-dioxothiolan-3-yl)-5-methyl-pyrazol-3-one 4-[(4-butylphenyl)aminomethylene…

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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) 2.84 7.05 -19.63 1 6 0 81 375.494 6 ↓

Analogs

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Popular Name: 4-[(4-butylphenyl)aminomethylene]-2-(1,1-dioxothiolan-3-yl)-5-methyl-pyrazol-3-one 4-[(4-butylphenyl)aminomethylene…

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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) 2.84 7.08 -19.5 1 6 0 81 375.494 6 ↓

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) 1.65 -2.3 -19.28 1 8 0 107 391.449 6 ↓

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) 1.65 -2.29 -19.37 1 8 0 107 391.449 6 ↓

Analogs

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Popular Name: (4Z)-4-[[(2,5-dichlorophenyl)amino]methylene]-2-[(3R)-1,1-dioxothiolan-3-yl]-5-methyl-pyrazol-3-one (4Z)-4-[[(2,5-dichlorophenyl)ami…

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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) 2.26 5.1 -20.55 1 6 0 81 388.276 3 ↓

Analogs

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Popular Name: (4Z)-4-[[(2,5-dichlorophenyl)amino]methylene]-2-[(3S)-1,1-dioxothiolan-3-yl]-5-methyl-pyrazol-3-one (4Z)-4-[[(2,5-dichlorophenyl)ami…

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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) 2.26 5.13 -20.45 1 6 0 81 388.276 3 ↓

Analogs

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Popular Name: (4Z)-4-[[(4-tert-butylphenyl)amino]methylene]-2-[(3R)-1,1-dioxothiolan-3-yl]-5-methyl-pyrazol-3-one (4Z)-4-[[(4-tert-butylphenyl)ami…

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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) 2.68 6.33 -19.93 1 6 0 81 375.494 4 ↓

Analogs

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Popular Name: (4Z)-4-[[(4-tert-butylphenyl)amino]methylene]-2-[(3S)-1,1-dioxothiolan-3-yl]-5-methyl-pyrazol-3-one (4Z)-4-[[(4-tert-butylphenyl)ami…

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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) 2.68 6.37 -19.86 1 6 0 81 375.494 4 ↓

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) 1.15 4.66 -23.38 1 8 0 107 377.422 5 ↓

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) 1.15 4.69 -23.44 1 8 0 107 377.422 5 ↓

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) 0.90 4.12 -28.68 1 10 0 126 437.474 7 ↓

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) 0.90 4.16 -28.34 1 10 0 126 437.474 7 ↓

Analogs

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Popular Name: (4Z)-4-[[(3-chloro-4-methoxy-phenyl)amino]methylene]-2-[(3R)-1,1-dioxothiolan-3-yl]-5-methyl-pyrazol (4Z)-4-[[(3-chloro-4-methoxy-phe…

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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) 1.64 3.91 -24.04 1 7 0 90 383.857 4 ↓

Analogs

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Popular Name: (4Z)-4-[[(3-chloro-4-methoxy-phenyl)amino]methylene]-2-[(3S)-1,1-dioxothiolan-3-yl]-5-methyl-pyrazol (4Z)-4-[[(3-chloro-4-methoxy-phe…

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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) 1.64 3.89 -20.72 1 7 0 90 383.857 4 ↓

Analogs

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Popular Name: (4Z)-4-[[(3,4-dimethoxyphenyl)amino]methylene]-2-[(3R)-1,1-dioxothiolan-3-yl]-5-methyl-pyrazol-3-one (4Z)-4-[[(3,4-dimethoxyphenyl)am…

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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) 0.62 3.26 -24.36 1 8 0 100 379.438 5 ↓

Analogs

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Popular Name: (4Z)-4-[[(3,4-dimethoxyphenyl)amino]methylene]-2-[(3S)-1,1-dioxothiolan-3-yl]-5-methyl-pyrazol-3-one (4Z)-4-[[(3,4-dimethoxyphenyl)am…

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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) 0.62 3.25 -24.35 1 8 0 100 379.438 5 ↓

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) 1.28 4.91 -28.74 1 8 0 107 377.422 5 ↓

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) 1.28 4.94 -28.28 1 8 0 107 377.422 5 ↓

Parameters Provided:

ring.id = 7109
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 = 7109 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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