UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-chloro-5-morpholinosulfonyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide 2-chloro-5-morpholinosulfonyl-N-…

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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) 3.32 7.16 -17.5 1 8 0 94 488.997 4 ↓
Mid Mid (pH 6-8) 3.32 7.59 -37.13 2 8 1 95 490.005 4 ↓

Analogs

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Popular Name: 2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]-N-BLAHyl-acetamide 2-[5-oxo-4-(2-thienyl)tetrazol-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) 2.04 -1.14 -20.1 1 9 0 100 409.475 4 ↓

Analogs

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Popular Name: 1-[7-(trifluoromethyl)-5,6,8,9-tetrazabicyclo[4.3.0]nona-2,4,7,9-tetraen-4-yl]-N-BLAHyl-piperidine-4 1-[7-(trifluoromethyl)-5,6,8,9-t…

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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) 3.79 -1.01 -22.72 1 9 0 93 498.513 4 ↓

Analogs

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Popular Name: 2-(2,4-dichlorophenoxy)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide 2-(2,4-dichlorophenoxy)-N-(7,8,9…

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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) 4.81 10.63 -17.46 1 5 0 56 404.297 4 ↓

Analogs

12539034
12539034

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Popular Name: (5S)-5-methyl-3-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)-2-thioxo-imidazolidin-4-one (5S)-5-methyl-3-(7,8,9,10-tetrah…

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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) 2.47 8.24 -18.4 1 5 0 50 314.414 1 ↓

Analogs

12539031
12539031

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Popular Name: (5R)-5-methyl-3-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)-2-thioxo-imidazolidin-4-one (5R)-5-methyl-3-(7,8,9,10-tetrah…

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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) 2.47 8.24 -19.28 1 5 0 50 314.414 1 ↓

Analogs

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Popular Name: 1,3-dimethyl-2,4-dioxo-6-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-ylamino)pyrimidine-5-c 1,3-dimethyl-2,4-dioxo-6-(7,8,9,…

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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) 1.98 8.89 -16.03 1 8 0 98 364.409 2 ↓
Mid Mid (pH 6-8) 1.98 9.32 -39.09 2 8 1 99 365.417 2 ↓

Analogs

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Popular Name: 3-methyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)isoxazole-5-carboxamide 3-methyl-N-(7,8,9,10-tetrahydro-…

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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) 2.50 6.73 -11.65 1 6 0 73 310.357 2 ↓
Mid Mid (pH 6-8) 2.50 7.16 -30.95 2 6 1 74 311.365 2 ↓

Analogs

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Popular Name: 1-(2-methoxyethyl)-6-oxo-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)pyridazine-3-carb 1-(2-methoxyethyl)-6-oxo-N-(7,8,…

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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) 1.59 6.23 -13.39 1 8 0 91 381.436 5 ↓
Mid Mid (pH 6-8) 1.59 6.66 -33.43 2 8 1 92 382.444 5 ↓

Parameters Provided:

ring.id = 10223
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 = 10223 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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