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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R,3R,4R)-2-amino-4-(4-pyridyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-3-carbonitrile (2R,3R,4R)-2-amino-4-(4-pyridyl)…

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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) 1.37 5.06 -15.88 3 6 0 93 290.33 1 ↓
Mid Mid (pH 6-8) 1.37 5.34 -78.7 4 6 1 94 291.338 1 ↓
Mid Mid (pH 6-8) 1.37 5.53 -35.94 4 6 1 94 291.338 1 ↓

Analogs

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Popular Name: 10-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b]benzimidazole 10-[(2-fluorophenyl)methyl]-3,4-…

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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) 3.76 12.62 -23.83 1 3 1 24 282.342 2 ↓

Analogs

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Popular Name: 10-[(3-fluorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole 10-[(3-fluorophenyl)methyl]-3,4-…

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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 12.46 -32.03 1 3 1 24 282.342 2 ↓

Analogs

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Popular Name: 10-(2-chloroethyl)-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole 10-(2-chloroethyl)-2,3,4,10-tetr…

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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) 2.66 10.01 -25.85 1 3 1 24 236.726 2 ↓

Analogs

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Popular Name: 2-(3,4-dihydropyrimido[1,2-a]benzimidazol-10(2H)-yl)ethanol 2-(3,4-dihydropyrimido[1,2-a]ben…

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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) 1.42 5.99 -23.47 2 4 1 44 218.28 2 ↓

Analogs

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Popular Name: butyl 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) 3.35 12.17 -28.78 1 5 1 50 288.371 6 ↓

Analogs

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Popular Name: 2-phenoxyethylBLAH 2-phenoxyethylBLAH

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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) 3.73 12.05 -28.37 1 4 1 33 294.378 4 ↓

Analogs

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Popular Name: 1-(4-hydroxy-3,5-ditert-butyl-phenyl)-2-BLAHyl-ethanone 1-(4-hydroxy-3,5-ditert-butyl-ph…

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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) 6.25 15.16 -31 2 5 1 61 420.577 5 ↓

Analogs

292891
292891

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Popular Name: 1-(p-tolyl)-2-BLAHyl-ethanone 1-(p-tolyl)-2-BLAHyl-ethanone

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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) 3.65 13.1 -30.87 1 4 1 41 306.389 3 ↓

Analogs

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Popular Name: 2-(3,4-dihydro-2H-pyrimido[2,1-b]benzimidazol-10-yl)acetonitrile 2-(3,4-dihydro-2H-pyrimido[2,1-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) 1.84 8.96 -33.51 1 4 1 48 213.264 1 ↓

Analogs

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Popular Name: 2-(3,4-dihydro-2H-pyrimido[2,1-b]benzimidazol-10-yl)-N-(p-tolyl)acetamide 2-(3,4-dihydro-2H-pyrimido[2,1-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) 3.30 11.38 -32.71 2 5 1 53 321.404 3 ↓

Analogs

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Popular Name: 1-(4-bromophenyl)-2-(7,8-dimethyl-3,4-dihydropyrimido[1,2-a]benzimidazol-10(2H)-yl)ethanone 1-(4-bromophenyl)-2-(7,8-dimethy…

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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 14.27 -32.65 1 4 1 41 399.312 3 ↓
Hi High (pH 8-9.5) 4.81 13.2 -12.9 0 4 0 39 398.304 3 ↓

Analogs

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Popular Name: 10-[(4-tert-butylphenyl)methyl]-7,8-dimethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole 10-[(4-tert-butylphenyl)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) 6.15 15.96 -25.63 1 3 1 24 348.514 3 ↓

Analogs

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Popular Name: 1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)propan-2-one 1-(3,4-dihydro-2H-pyrimido[1,2-a…

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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) 1.60 9.53 -30.13 1 4 1 41 230.291 2 ↓
Hi High (pH 8-9.5) 1.60 8.46 -13.48 0 4 0 39 229.283 2 ↓

Parameters Provided:

ring.id = 52076
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 = 52076 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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