UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6700585
6700585

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Popular Name: 3-[[2-(difluoromethyl)benzimidazol-1-yl]methyl]-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide 3-[[2-(difluoromethyl)benzimidaz…

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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) 1.01 2.6 -12.88 1 8 0 95 351.313 7 ↓

Analogs

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Popular Name: 3-[[2-(difluoromethyl)benzimidazol-1-yl]methyl]-N-ethyl-1,2,4-oxadiazole-5-carboxamide 3-[[2-(difluoromethyl)benzimidaz…

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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) 1.40 3.52 -12.43 1 7 0 86 321.287 5 ↓

Analogs

6700615
6700615

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Popular Name: 3-[[2-(difluoromethyl)benzimidazol-1-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide 3-[[2-(difluoromethyl)benzimidaz…

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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) 1.03 2.69 -13.39 1 7 0 86 307.26 4 ↓

Analogs

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Popular Name: 5-ethyl-3-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole 5-ethyl-3-[[2-(trifluoromethyl)b…

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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) 2.75 6.08 -11.48 0 5 0 57 296.252 4 ↓

Analogs

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Popular Name: 5-isopropyl-3-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole 5-isopropyl-3-[[2-(trifluorometh…

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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) 3.23 6.68 -11.18 0 5 0 57 310.279 4 ↓

Analogs

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Popular Name: 5-butyl-3-[[2-(methylsulfonylmethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole 5-butyl-3-[[2-(methylsulfonylmet…

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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 4.68 -20.38 0 7 0 91 348.428 7 ↓
Lo Low (pH 4.5-6) 2.28 5.12 -35.04 1 7 1 92 349.436 7 ↓

Analogs

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Popular Name: (2R)-1-[[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-yl]amino]propan-2-ol (2R)-1-[[1-[(5-propyl-1,2,4-oxad…

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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) 2.16 5.78 -28.54 3 7 1 90 316.385 7 ↓
Mid Mid (pH 6-8) 2.16 5.35 -13.17 2 7 0 89 315.377 7 ↓

Analogs

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Popular Name: (2S)-1-[[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-yl]amino]propan-2-ol (2S)-1-[[1-[(5-propyl-1,2,4-oxad…

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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) 2.16 5.74 -28.39 3 7 1 90 316.385 7 ↓
Mid Mid (pH 6-8) 2.16 5.3 -12.26 2 7 0 89 315.377 7 ↓

Parameters Provided:

ring.id = 256513
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 = 256513 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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