UCSF
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Analogs

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Popular Name: 4-[(2S,6R)-2,6-dimethylpiperazine-1-carbonyl]-1,3-dihydroimidazol-2-one 4-[(2S,6R)-2,6-dimethylpiperazin…

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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) -0.80 -0.39 -55.66 4 6 1 86 225.272 1 ↓
Mid Mid (pH 6-8) -0.80 -1.89 -12.01 3 6 0 81 224.264 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2S,6S)-2,6-dimethylpiperazine-1-carbonyl]-1,3-dihydroimidazol-2-one 4-[(2S,6S)-2,6-dimethylpiperazin…

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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) -0.80 -0.06 -63.55 4 6 1 86 225.272 1 ↓
Mid Mid (pH 6-8) -0.80 -1.38 -13.74 3 6 0 81 224.264 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2R,6R)-2,6-dimethylpiperazine-1-carbonyl]-1,3-dihydroimidazol-2-one 4-[(2R,6R)-2,6-dimethylpiperazin…

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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) -0.80 -0.11 -58.72 4 6 1 86 225.272 1 ↓
Mid Mid (pH 6-8) -0.80 -1.48 -13.48 3 6 0 81 224.264 1 ↓

Analogs

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Popular Name: N-isopropyl-N-methyl-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperazine-1-sulfonamide N-isopropyl-N-methyl-4-(2-oxo-1,…

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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) -0.81 -0.66 -19.59 2 9 0 110 331.398 4 ↓

Analogs

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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) 0.17 1.96 -15.12 2 8 0 99 296.327 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-N-methyl-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperazine-1-sulfonamide N-butyl-N-methyl-4-(2-oxo-1,3-di…

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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) -0.04 0.51 -19.7 2 9 0 110 345.425 6 ↓

Parameters Provided:

ring.id = 255168
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 = 255168 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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