UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]-1-methyl-imidazolidine-2,4-dione 3-[(2R)-2-cyclopropyl-2-(methyla…

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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) 0.06 3.62 -33.26 2 5 1 57 212.273 4 ↓
Hi High (pH 8-9.5) 0.06 2.86 -7.95 1 5 0 53 211.265 4 ↓

Analogs

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Popular Name: 3-[(2S)-2-cyclopropyl-2-(methylamino)ethyl]-1-methyl-imidazolidine-2,4-dione 3-[(2S)-2-cyclopropyl-2-(methyla…

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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) 0.06 3.91 -35.04 2 5 1 57 212.273 4 ↓
Hi High (pH 8-9.5) 0.06 2.97 -8.37 1 5 0 53 211.265 4 ↓

Analogs

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Popular Name: 3-[(2R)-2-cyclopropyl-2-(ethylamino)ethyl]-1-methyl-imidazolidine-2,4-dione 3-[(2R)-2-cyclopropyl-2-(ethylam…

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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) 0.44 4.51 -31.87 2 5 1 57 226.3 5 ↓
Hi High (pH 8-9.5) 0.44 3.78 -7.85 1 5 0 53 225.292 5 ↓

Analogs

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Popular Name: 3-[(2S)-2-cyclopropyl-2-(ethylamino)ethyl]-1-methyl-imidazolidine-2,4-dione 3-[(2S)-2-cyclopropyl-2-(ethylam…

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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) 0.44 4.92 -33.88 2 5 1 57 226.3 5 ↓
Hi High (pH 8-9.5) 0.44 3.89 -8.1 1 5 0 53 225.292 5 ↓

Analogs

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Popular Name: 3-[(2R)-2-amino-2-cyclopropyl-ethyl]-1-methyl-imidazolidine-2,4-dione 3-[(2R)-2-amino-2-cyclopropyl-et…

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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) -0.85 2.4 -39.11 3 5 1 68 198.246 3 ↓
Hi High (pH 8-9.5) -0.85 2 -8.19 2 5 0 67 197.238 3 ↓

Analogs

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Popular Name: 3-[(2S)-2-amino-2-cyclopropyl-ethyl]-1-methyl-imidazolidine-2,4-dione 3-[(2S)-2-amino-2-cyclopropyl-et…

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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) -0.85 2.36 -36.38 3 5 1 68 198.246 3 ↓
Hi High (pH 8-9.5) -0.85 2.06 -7.62 2 5 0 67 197.238 3 ↓

Analogs

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Popular Name: 3-[(2R)-2-cyclopropyl-2-hydroxy-ethyl]-1-methyl-imidazolidine-2,4-dione 3-[(2R)-2-cyclopropyl-2-hydroxy-…

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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) -0.36 1.55 -9.5 1 5 0 61 198.222 3 ↓

Analogs

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Popular Name: 3-[(2S)-2-cyclopropyl-2-hydroxy-ethyl]-1-methyl-imidazolidine-2,4-dione 3-[(2S)-2-cyclopropyl-2-hydroxy-…

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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) -0.36 1.74 -9.23 1 5 0 61 198.222 3 ↓

Analogs

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Popular Name: 3-[(2R)-2-cyclopropyl-2-(propylamino)ethyl]-1-methyl-imidazolidine-2,4-dione 3-[(2R)-2-cyclopropyl-2-(propyla…

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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 5.26 -32.06 2 5 1 57 240.327 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-2-cyclopropyl-2-(propylamino)ethyl]-1-methyl-imidazolidine-2,4-dione 3-[(2S)-2-cyclopropyl-2-(propyla…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 5.68 -34.27 2 5 1 57 240.327 6 ↓

Parameters Provided:

ring.id = 246459
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 = 246459 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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