UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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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) 2.10 4.47 -28.8 3 9 0 117 404.467 9 ↓
Hi High (pH 8-9.5) 2.29 3.69 -59.93 2 9 -1 123 403.459 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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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) 2.10 4.38 -27.81 3 9 0 117 404.467 9 ↓
Hi High (pH 8-9.5) 2.29 3.6 -58.32 2 9 -1 123 403.459 9 ↓

Analogs

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Popular Name: (5S)-3-(2-hydroxy-2-methyl-propyl)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-imidazolidine-2,4-dione (5S)-3-(2-hydroxy-2-methyl-propy…

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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) 2.17 3.48 -11.12 2 6 0 79 320.389 6 ↓

Analogs

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Popular Name: (5S)-3-(3-hydroxypropyl)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-imidazolidine-2,4-dione (5S)-3-(3-hydroxypropyl)-5-[2-(4…

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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) 1.63 2.81 -13.23 2 6 0 79 306.362 7 ↓

Analogs

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Popular Name: (5R)-3-(3-hydroxypropyl)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-imidazolidine-2,4-dione (5R)-3-(3-hydroxypropyl)-5-[2-(4…

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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) 1.63 2.75 -12.89 2 6 0 79 306.362 7 ↓

Analogs

41822973
41822973

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Popular Name: N-[(4R)-4-methyl-2,5-dioxo-4-phenethyl-imidazolidin-1-yl]hexanamide N-[(4R)-4-methyl-2,5-dioxo-4-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) 3.46 7.08 -17.08 2 6 0 79 331.416 8 ↓
Hi High (pH 8-9.5) 3.64 5.57 -54.33 1 6 -1 85 330.408 8 ↓

Analogs

41822971
41822971
23946455
23946455
23946459
23946459

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4S)-4-methyl-2,5-dioxo-4-phenethyl-imidazolidin-1-yl]hexanamide N-[(4S)-4-methyl-2,5-dioxo-4-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) 3.46 7.16 -16.34 2 6 0 79 331.416 8 ↓
Hi High (pH 8-9.5) 3.64 5.65 -55.98 1 6 -1 85 330.408 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4R)-2,5-dioxo-4-phenethyl-imidazolidin-1-yl]propanenitrile 3-[(4R)-2,5-dioxo-4-phenethyl-im…

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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) 0.94 5.97 -12.79 1 5 0 73 257.293 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4S)-2,5-dioxo-4-phenethyl-imidazolidin-1-yl]propanenitrile 3-[(4S)-2,5-dioxo-4-phenethyl-im…

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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) 0.94 5.97 -12.47 1 5 0 73 257.293 5 ↓

Parameters Provided:

ring.id = 144557
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 = 144557 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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