UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9390167
9390167

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Popular Name: 3-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-5,5-dipropyl-imidazolidine-2,4-dione 3-[2-(1-ethyl-2,5-dimethyl-pyrro…

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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) 2.99 9.58 -14.26 1 6 0 71 347.459 8 ↓

Analogs

48324610
48324610
48324611
48324611
21701957
21701957

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Popular Name: 3-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-5,5-dipropyl-imidazolidine-2,4-dione 3-[2-(1-allyl-2,5-dimethyl-pyrro…

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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) 3.26 10.15 -14.05 1 6 0 71 359.47 9 ↓

Analogs

36875525
36875525

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Popular Name: 3-[2-[1-[(1S)-2-methoxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]-5,5-dipropyl-imidazol 3-[2-[1-[(1S)-2-methoxy-1-methyl…

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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) 2.96 8.97 -13.9 1 7 0 81 391.512 10 ↓

Analogs

36875524
36875524

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Popular Name: 3-[2-[1-[(1R)-2-methoxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]-5,5-dipropyl-imidazol 3-[2-[1-[(1R)-2-methoxy-1-methyl…

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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) 2.96 8.96 -13.85 1 7 0 81 391.512 10 ↓

Analogs

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Popular Name: (5S)-3-[2-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-5-isopropyl-imidazolidine-2,4-dione (5S)-3-[2-(1-isopentyl-2,5-dimet…

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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) 2.44 9.36 -13.43 1 6 0 71 347.459 7 ↓

Analogs

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Popular Name: (5R)-3-[2-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-5-isopropyl-imidazolidine-2,4-dione (5R)-3-[2-(1-isopentyl-2,5-dimet…

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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) 2.44 9.1 -13.64 1 6 0 71 347.459 7 ↓

Analogs

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Popular Name: (5S)-3-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxo-ethyl]-5-ethyl-5-isopropyl-imidaz (5S)-3-[2-[2,5-dimethyl-1-(2,2,2…

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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) 2.66 8.69 -15.41 1 6 0 71 387.402 7 ↓

Analogs

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Popular Name: (5R)-3-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxo-ethyl]-5-ethyl-5-isopropyl-imidaz (5R)-3-[2-[2,5-dimethyl-1-(2,2,2…

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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) 2.66 8.84 -15.11 1 6 0 71 387.402 7 ↓

Analogs

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Popular Name: (5S)-3-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-5-ethyl-5-isopropyl-imidazolidine-2,4-dion (5S)-3-[2-(1-allyl-2,5-dimethyl-…

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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) 2.38 9 -14.02 1 6 0 71 345.443 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-5-ethyl-5-isopropyl-imidazolidine-2,4-dion (5R)-3-[2-(1-allyl-2,5-dimethyl-…

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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) 2.38 9.15 -13.69 1 6 0 71 345.443 7 ↓

Parameters Provided:

ring.id = 120353
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 = 120353 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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