UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

47170418
47170418
47611898
47611898
49378384
49378384
5774275
5774275
133662
133662

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Popular Name: 1-methyl-3-(1-naphthyl)imidazolidine-2,4-dione 1-methyl-3-(1-naphthyl)imidazoli…

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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) 2.28 7.7 -15 0 4 0 41 240.262 1 ↓

Analogs

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Popular Name: (5R)-5-methyl-3-(1-naphthyl)imidazolidine-2,4-dione (5R)-5-methyl-3-(1-naphthyl)imid…

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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) 2.36 6.03 -13.63 1 4 0 49 240.262 1 ↓

Analogs

349655
349655

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Popular Name: (5S)-5-methyl-3-(1-naphthyl)imidazolidine-2,4-dione (5S)-5-methyl-3-(1-naphthyl)imid…

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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) 2.36 6.03 -13.59 1 4 0 49 240.262 1 ↓

Analogs

44626487
44626487
44626489
44626489
36418
36418

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Popular Name: (5R)-5-isopropyl-3-(1-naphthyl)imidazolidine-2,4-dione (5R)-5-isopropyl-3-(1-naphthyl)i…

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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) 3.14 7.5 -12.45 1 4 0 49 268.316 2 ↓

Analogs

44626487
44626487
44626489
44626489
36418
36418

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Popular Name: (5S)-5-isopropyl-3-(1-naphthyl)imidazolidine-2,4-dione (5S)-5-isopropyl-3-(1-naphthyl)i…

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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) 3.14 7.72 -12.8 1 4 0 49 268.316 2 ↓

Analogs

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Popular Name: (5R)-5-(2-methylsulfanylethyl)-3-(1-naphthyl)imidazolidine-2,4-dione (5R)-5-(2-methylsulfanylethyl)-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) 2.82 8.12 -14.38 1 4 0 49 300.383 4 ↓

Analogs

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Popular Name: (5S)-5-(2-methylsulfanylethyl)-3-(1-naphthyl)imidazolidine-2,4-dione (5S)-5-(2-methylsulfanylethyl)-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) 2.82 8.12 -14.3 1 4 0 49 300.383 4 ↓

Analogs

1040987
1040987
1040988
1040988

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Popular Name: (5R)-5-[(1R)-1-methylpropyl]-3-(1-naphthyl)imidazolidine-2,4-dione (5R)-5-[(1R)-1-methylpropyl]-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) 3.64 8.14 -12.36 1 4 0 49 282.343 3 ↓

Analogs

1040987
1040987
1040988
1040988

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Popular Name: (5R)-5-[(1S)-1-methylpropyl]-3-(1-naphthyl)imidazolidine-2,4-dione (5R)-5-[(1S)-1-methylpropyl]-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) 3.64 8.24 -12.76 1 4 0 49 282.343 3 ↓

Analogs

1040987
1040987
1040988
1040988

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Popular Name: (5S)-5-[(1R)-1-methylpropyl]-3-(1-naphthyl)imidazolidine-2,4-dione (5S)-5-[(1R)-1-methylpropyl]-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) 3.64 8.37 -12.69 1 4 0 49 282.343 3 ↓

Analogs

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Popular Name: (5S)-5-[(1S)-1-methylpropyl]-3-(1-naphthyl)imidazolidine-2,4-dione (5S)-5-[(1S)-1-methylpropyl]-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) 3.64 8.14 -12.24 1 4 0 49 282.343 3 ↓

Analogs

47170418
47170418
47611898
47611898
49378384
49378384
174344
174344

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Popular Name: 3-(1-naphthyl)imidazolidine-2,4-dione 3-(1-naphthyl)imidazolidine-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) 2.03 5.3 -14.91 1 4 0 49 226.235 1 ↓

Analogs

44626487
44626487
44626489
44626489
1040987
1040987
1040988
1040988

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Popular Name: (5R)-5-ethyl-3-(1-naphthyl)imidazolidine-2,4-dione (5R)-5-ethyl-3-(1-naphthyl)imida…

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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) 2.90 6.88 -12.84 1 4 0 49 254.289 2 ↓

Analogs

44626487
44626487
44626489
44626489
1040987
1040987
1040988
1040988

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-ethyl-3-(1-naphthyl)imidazolidine-2,4-dione (5S)-5-ethyl-3-(1-naphthyl)imida…

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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) 2.90 6.88 -12.75 1 4 0 49 254.289 2 ↓

Analogs

44626487
44626487
44626489
44626489
1040987
1040987
1040988
1040988

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Popular Name: (5R)-5-butyl-3-(1-naphthyl)imidazolidine-2,4-dione (5R)-5-butyl-3-(1-naphthyl)imida…

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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) 3.96 8.44 -12.71 1 4 0 49 282.343 4 ↓

Analogs

44626487
44626487
44626489
44626489
1040987
1040987
1040988
1040988

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Popular Name: (5S)-5-butyl-3-(1-naphthyl)imidazolidine-2,4-dione (5S)-5-butyl-3-(1-naphthyl)imida…

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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) 3.96 8.44 -12.6 1 4 0 49 282.343 4 ↓

Parameters Provided:

ring.id = 111510
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 = 111510 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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