UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(4-acetylphenyl)carbamoyl]ethyl 1-[(4-acetylphenyl)carbamoyl]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) 0.93 6.27 -32.53 2 9 0 131 443.481 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(4-acetylphenyl)carbamoyl]ethyl 1-[(4-acetylphenyl)carbamoyl]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) 0.93 6.28 -32.65 2 9 0 131 443.481 9 ↓

Analogs

9550958
9550958
9550959
9550959

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Popular Name: [(1R)-2-[(2,5-dichlorophenyl)amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[(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) 2.32 6.84 -31.47 2 8 0 114 470.334 8 ↓

Analogs

9550958
9550958
9550959
9550959

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Popular Name: [(1S)-2-[(2,5-dichlorophenyl)amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[(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) 2.32 6.94 -31.91 2 8 0 114 470.334 8 ↓

Analogs

14242116
14242116

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Popular Name: [(1R)-2-[(2-acetylphenyl)amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[(2-acetylphenyl)amino]-…

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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) 0.88 6.66 -31.95 2 9 0 131 443.481 9 ↓

Analogs

14242115
14242115

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-2-[(2-acetylphenyl)amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[(2-acetylphenyl)amino]-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.88 6.7 -30.92 2 9 0 131 443.481 9 ↓

Parameters Provided:

ring.id = 6794
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 = 6794 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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