UCSF
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Analogs

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Popular Name: 3-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethyl]-5,5-dimethyl-imidazolidine-2,4-dione 3-[2-[[(1S)-1-(4-chlorophenyl)et…

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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) 2.41 5.72 -45.05 3 5 1 66 310.805 5 ↓
Mid Mid (pH 6-8) 2.41 4.6 -7.87 2 5 0 61 309.797 5 ↓

Analogs

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Popular Name: 3-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]-5,5-dimethyl-imidazolidine-2,4-dione 3-[2-[[(1R)-1-(4-chlorophenyl)et…

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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) 2.41 5.71 -45 3 5 1 66 310.805 5 ↓
Mid Mid (pH 6-8) 2.41 4.62 -8.36 2 5 0 61 309.797 5 ↓

Analogs

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Popular Name: 3-[2-[[1-(2-methoxyphenyl)-1-methyl-ethyl]amino]ethyl]-5,5-dimethyl-imidazolidine-2,4-dione 3-[2-[[1-(2-methoxyphenyl)-1-met…

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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) 2.18 5.29 -38.62 3 6 1 75 320.413 6 ↓
Hi High (pH 8-9.5) 2.18 4.21 -9.27 2 6 0 71 319.405 6 ↓

Analogs

26900949
26900949
4516788
4516788

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Popular Name: 3-[2-[(2-chlorophenyl)methyl-ethyl-amino]ethyl]-5,5-dimethyl-imidazolidine-2,4-dione 3-[2-[(2-chlorophenyl)methyl-eth…

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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) 2.42 7.57 -33.67 2 5 1 54 324.832 6 ↓
Mid Mid (pH 6-8) 2.42 5.46 -8.57 1 5 0 53 323.824 6 ↓

Parameters Provided:

ring.id = 181018
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 = 181018 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=181018&filter.purchasability=annotated

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