UCSF
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Analogs

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Popular Name: 5,5-diethyl-1-[(1-isopropylpyrazol-3-yl)methyl]imidazolidine-2,4-dione 5,5-diethyl-1-[(1-isopropylpyraz…

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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) 1.82 5.59 -8.58 1 6 0 67 278.356 5 ↓
Hi High (pH 8-9.5) 2.00 2.98 -47.88 0 6 -1 74 277.348 5 ↓

Analogs

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Popular Name: 1-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]-5,5-dimethyl-imidazolidine-2,4-dione 1-[[1-(1-ethylpropyl)pyrazol-3-y…

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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) 1.82 4.98 -8.65 1 6 0 67 278.356 5 ↓
Hi High (pH 8-9.5) 1.44 2.6 -47.97 0 6 -1 74 277.348 5 ↓

Analogs

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Popular Name: (5R)-5-ethyl-5-methyl-1-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]imidazolidine-2,4-dione (5R)-5-ethyl-5-methyl-1-[[1-[(1R…

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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) 1.82 4.84 -8.67 1 6 0 67 278.356 5 ↓
Hi High (pH 8-9.5) 1.44 2.31 -48.21 0 6 -1 74 277.348 5 ↓

Analogs

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Popular Name: (5R)-5-ethyl-5-methyl-1-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]imidazolidine-2,4-dione (5R)-5-ethyl-5-methyl-1-[[1-[(1S…

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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) 1.82 4.82 -8.59 1 6 0 67 278.356 5 ↓
Hi High (pH 8-9.5) 1.44 2.29 -47.79 0 6 -1 74 277.348 5 ↓

Analogs

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Popular Name: (5S)-5-ethyl-5-methyl-1-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]imidazolidine-2,4-dione (5S)-5-ethyl-5-methyl-1-[[1-[(1R…

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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) 1.82 4.85 -8.52 1 6 0 67 278.356 5 ↓
Hi High (pH 8-9.5) 1.44 2.32 -48.05 0 6 -1 74 277.348 5 ↓

Analogs

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Popular Name: (5S)-5-ethyl-5-methyl-1-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]imidazolidine-2,4-dione (5S)-5-ethyl-5-methyl-1-[[1-[(1S…

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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) 1.82 4.83 -8.47 1 6 0 67 278.356 5 ↓
Hi High (pH 8-9.5) 1.44 2.3 -47.56 0 6 -1 74 277.348 5 ↓

Analogs

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Popular Name: (5R)-5-ethyl-1-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]-5-methyl-imidazolidine-2,4-dione (5R)-5-ethyl-1-[[1-(1-ethylpropy…

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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) 2.32 5.72 -8.33 1 6 0 67 292.383 6 ↓
Hi High (pH 8-9.5) 1.95 3.19 -48.38 0 6 -1 74 291.375 6 ↓

Analogs

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Popular Name: (5S)-5-ethyl-1-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]-5-methyl-imidazolidine-2,4-dione (5S)-5-ethyl-1-[[1-(1-ethylpropy…

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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) 2.32 5.73 -8.18 1 6 0 67 292.383 6 ↓
Hi High (pH 8-9.5) 1.95 3.19 -48.3 0 6 -1 74 291.375 6 ↓

Analogs

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Popular Name: 5,5-diethyl-1-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]imidazolidine-2,4-dione 5,5-diethyl-1-[[1-[(1R)-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) 2.32 6.25 -8.35 1 6 0 67 292.383 6 ↓
Hi High (pH 8-9.5) 1.95 3.68 -47.86 0 6 -1 74 291.375 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,5-diethyl-1-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]imidazolidine-2,4-dione 5,5-diethyl-1-[[1-[(1S)-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) 2.32 6.21 -8.33 1 6 0 67 292.383 6 ↓
Hi High (pH 8-9.5) 1.95 3.65 -47.59 0 6 -1 74 291.375 6 ↓

Parameters Provided:

ring.id = 513810
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 = 513810 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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