UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(3-oxo-3-piperazin-1-yl-propyl)imidazolidine-2,4-dione 3-(3-oxo-3-piperazin-1-yl-propyl…

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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) -1.91 -0.02 -54.41 3 7 1 86 241.271 3 ↓
Mid Mid (pH 6-8) -1.91 -1.34 -14.79 2 7 0 82 240.263 3 ↓

Analogs

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Popular Name: 5,5-dimethyl-3-(3-oxo-3-piperazin-1-yl-propyl)imidazolidine-2,4-dione 5,5-dimethyl-3-(3-oxo-3-piperazi…

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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) -1.10 1.35 -52.26 3 7 1 86 269.325 3 ↓
Mid Mid (pH 6-8) -1.10 0.06 -12.37 2 7 0 82 268.317 3 ↓

Analogs

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Popular Name: (5R)-3-(3-oxo-3-piperazin-1-yl-propyl)-5-propyl-imidazolidine-2,4-dione (5R)-3-(3-oxo-3-piperazin-1-yl-p…

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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) -0.48 2.33 -52.51 3 7 1 86 283.352 5 ↓
Mid Mid (pH 6-8) -0.48 1.03 -12.45 2 7 0 82 282.344 5 ↓

Analogs

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Popular Name: (5S)-3-(3-oxo-3-piperazin-1-yl-propyl)-5-propyl-imidazolidine-2,4-dione (5S)-3-(3-oxo-3-piperazin-1-yl-p…

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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) -0.48 2.33 -52.06 3 7 1 86 283.352 5 ↓
Mid Mid (pH 6-8) -0.48 1.03 -12.17 2 7 0 82 282.344 5 ↓

Analogs

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Popular Name: (5R)-5-ethyl-5-methyl-3-(3-oxo-3-piperazin-1-yl-propyl)imidazolidine-2,4-dione (5R)-5-ethyl-5-methyl-3-(3-oxo-3…

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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) -0.60 2.13 -51.93 3 7 1 86 283.352 4 ↓
Mid Mid (pH 6-8) -0.60 0.84 -11.98 2 7 0 82 282.344 4 ↓

Analogs

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Popular Name: (5S)-5-ethyl-5-methyl-3-(3-oxo-3-piperazin-1-yl-propyl)imidazolidine-2,4-dione (5S)-5-ethyl-5-methyl-3-(3-oxo-3…

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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) -0.60 2.2 -51.75 3 7 1 86 283.352 4 ↓
Mid Mid (pH 6-8) -0.60 0.91 -11.8 2 7 0 82 282.344 4 ↓

Analogs

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Popular Name: 1-methyl-3-(3-oxo-3-piperazin-1-yl-propyl)imidazolidine-2,4-dione 1-methyl-3-(3-oxo-3-piperazin-1-…

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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) -1.66 2.37 -53.67 2 7 1 78 255.298 3 ↓
Mid Mid (pH 6-8) -1.66 1.08 -14.32 1 7 0 73 254.29 3 ↓

Parameters Provided:

ring.id = 39059
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 = 39059 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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