UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[3-(4-isopropylpiperazin-1-yl)propyl]imidazolidine-2,4-dione 3-[3-(4-isopropylpiperazin-1-yl)…

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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) 0.04 2.78 -36.47 2 6 1 57 269.369 5 ↓
Hi High (pH 8-9.5) 0.04 0.55 -9.75 1 6 0 56 268.361 5 ↓

Analogs

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Popular Name: 3-[3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione 3-[3-[4-(2,2-dimethylpropanoyl)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) 0.39 2.11 -16.06 1 7 0 73 310.398 5 ↓
Mid Mid (pH 6-8) 0.39 4.35 -52.04 2 7 1 74 311.406 5 ↓

Analogs

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Popular Name: 3-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione 3-[3-[4-(3,3-dimethylbutyl)piper…

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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) 1.34 4.68 -40.11 2 6 1 57 311.45 7 ↓
Hi High (pH 8-9.5) 1.34 2.41 -9.41 1 6 0 56 310.442 7 ↓

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) 0.63 2.81 -12.5 1 8 0 82 326.397 6 ↓
Mid Mid (pH 6-8) 0.63 5 -47.8 2 8 1 83 327.405 6 ↓

Parameters Provided:

ring.id = 287684
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 = 287684 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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