UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(3-Pyridyl)benzimidazole 2-(3-Pyridyl)benzimidazole

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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) 0.61 3.74 -9.42 0 3 0 38 195.225 1 ↓

Analogs

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Popular Name: 2-(3-Pyridyl)benzimidazole 2-(3-Pyridyl)benzimidazole

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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) 0.61 3.74 -9.38 0 3 0 38 195.225 1 ↓

Analogs

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Popular Name: [(2R)-2-(4-diazocyclohexa-1,5-dien-1-yl)-2-phosphonooxy-ethyl]-trimethyl-ammonium [(2R)-2-(4-diazocyclohexa-1,5-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) -4.06 5.95 -104.03 0 7 -1 110 286.248 5 ↓
Lo Low (pH 4.5-6) -4.06 4.83 -40.18 1 7 0 107 287.256 5 ↓

Analogs

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Popular Name: [(2S)-2-(4-diazocyclohexa-1,5-dien-1-yl)-2-phosphonooxy-ethyl]-trimethyl-ammonium [(2S)-2-(4-diazocyclohexa-1,5-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) -4.06 6.01 -107.03 0 7 -1 110 286.248 5 ↓
Lo Low (pH 4.5-6) -4.06 4.86 -42.64 1 7 0 107 287.256 5 ↓

Analogs

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Popular Name: (NZ)-N-[(6R)-6-[(2-butyl-7-hydroxy-4-methyl-benzimidazol-1-yl)methyl]-2-phenyl-cyclohexa-2,4-dien-1- (NZ)-N-[(6R)-6-[(2-butyl-7-hydro…

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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) 6.19 13.01 -14.57 1 6 0 85 517.629 8 ↓
Mid Mid (pH 6-8) 6.19 13.3 -41.57 2 6 1 86 518.637 8 ↓
Lo Low (pH 4.5-6) 6.19 14.07 -28.88 1 6 0 89 517.629 8 ↓

Parameters Provided:

ring.id = 2468
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 = 2468 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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