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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 6-methoxy-N-methyl-N-[(5-methyl-1H-benzimidazol-2-yl)methyl]pyrimidin-4-amine 6-methoxy-N-methyl-N-[(5-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) 2.06 6.04 -9.95 1 6 0 67 283.335 4 ↓
Mid Mid (pH 6-8) 2.06 6.81 -33.19 2 6 1 68 284.343 4 ↓

Analogs

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Popular Name: 4-(1H-benzimidazol-2-ylmethylamino)-6-methylsulfanyl-pyrimidine-5-carbonitrile 4-(1H-benzimidazol-2-ylmethylami…

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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) 1.61 6.46 -11.39 2 6 0 90 296.359 4 ↓

Analogs

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Popular Name: 4-[(1-methylbenzimidazol-2-yl)methylamino]-6-methylsulfanyl-pyrimidine-5-carbonitrile 4-[(1-methylbenzimidazol-2-yl)me…

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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) 1.68 8.09 -11.94 1 6 0 79 310.386 4 ↓
Mid Mid (pH 6-8) 1.68 8.52 -32.45 2 6 1 81 311.394 4 ↓

Analogs

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Popular Name: 4-[(1-ethylbenzimidazol-2-yl)methylamino]-6-methylsulfanyl-pyrimidine-5-carbonitrile 4-[(1-ethylbenzimidazol-2-yl)met…

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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) 2.06 9 -11.42 1 6 0 79 324.413 5 ↓
Mid Mid (pH 6-8) 2.06 9.47 -31.83 2 6 1 81 325.421 5 ↓

Analogs

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Popular Name: 6-(aminomethyl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N,2-dimethyl-pyrimidin-4-amine 6-(aminomethyl)-N-[(6-fluoro-1H-…

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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) 1.10 4.89 -51 4 6 1 85 301.349 4 ↓
Mid Mid (pH 6-8) 1.10 4.87 -31.72 4 6 1 85 301.349 4 ↓
Mid Mid (pH 6-8) 1.10 4.48 -13.27 3 6 0 84 300.341 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-6-methoxy-pyrimidin-4-amine N-[(1S)-1-(1H-benzimidazol-2-yl)…

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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) 1.95 4 -10.33 2 6 0 76 269.308 4 ↓
Mid Mid (pH 6-8) 1.95 4.47 -32.83 3 6 1 77 270.316 4 ↓

Analogs

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Popular Name: N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-6-methoxy-pyrimidin-4-amine N-[(1R)-1-(1H-benzimidazol-2-yl)…

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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) 1.95 4 -10.34 2 6 0 76 269.308 4 ↓
Mid Mid (pH 6-8) 1.95 4.46 -32.8 3 6 1 77 270.316 4 ↓

Parameters Provided:

ring.id = 538919
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 = 538919 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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