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Analogs

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Popular Name: 1-(6-chloropyrimidin-4-yl)-5,6-dimethyl-benzimidazole 1-(6-chloropyrimidin-4-yl)-5,6-d…

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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) 3.21 9.9 -9.36 0 4 0 44 258.712 1 ↓
Mid Mid (pH 6-8) 3.21 10.38 -37.17 1 4 1 45 259.72 1 ↓

Analogs

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Popular Name: 1-(6-chloropyrimidin-4-yl)benzimidazole 1-(6-chloropyrimidin-4-yl)benzim…

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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) 2.41 8.66 -9.27 0 4 0 44 230.658 1 ↓
Lo Low (pH 4.5-6) 2.41 9.14 -37.46 1 4 1 45 231.666 1 ↓

Analogs

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Popular Name: 1-(2-chloro-6-methyl-pyrimidin-4-yl)-5,6-dimethyl-benzimidazole 1-(2-chloro-6-methyl-pyrimidin-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) 3.63 9.88 -12.11 0 4 0 44 272.739 1 ↓
Mid Mid (pH 6-8) 3.63 10.36 -41.95 1 4 1 45 273.747 1 ↓

Analogs

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Popular Name: 1-(2-chloro-6-methyl-pyrimidin-4-yl)benzimidazole 1-(2-chloro-6-methyl-pyrimidin-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) 2.83 8.66 -11.9 0 4 0 44 244.685 1 ↓
Lo Low (pH 4.5-6) 2.83 9.13 -42.17 1 4 1 45 245.693 1 ↓

Analogs

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Popular Name: 1-(6-chloro-2-methyl-pyrimidin-4-yl)-5,6-dimethyl-benzimidazole 1-(6-chloro-2-methyl-pyrimidin-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) 3.30 9.83 -9.39 0 4 0 44 272.739 1 ↓
Mid Mid (pH 6-8) 3.30 10.31 -36.84 1 4 1 45 273.747 1 ↓

Analogs

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Popular Name: 1-(6-chloro-2-methyl-pyrimidin-4-yl)benzimidazole 1-(6-chloro-2-methyl-pyrimidin-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) 2.50 8.61 -9.18 0 4 0 44 244.685 1 ↓
Lo Low (pH 4.5-6) 2.50 9.09 -37.21 1 4 1 45 245.693 1 ↓

Analogs

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Popular Name: [6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]hydrazine [6-(benzimidazol-1-yl)-5-nitro-p…

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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) 0.86 7.7 -11.35 3 9 0 127 271.24 3 ↓
Lo Low (pH 4.5-6) 0.86 8.17 -26.83 4 9 1 129 272.248 3 ↓

Analogs

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Popular Name: 6-(benzimidazol-1-yl)-N-(2-methoxyethyl)-5-nitro-pyrimidin-4-amine 6-(benzimidazol-1-yl)-N-(2-metho…

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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) 1.46 8.9 -12.04 1 9 0 111 314.305 6 ↓
Lo Low (pH 4.5-6) 1.46 9.38 -26.38 2 9 1 112 315.313 6 ↓

Analogs

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Popular Name: 1-(6-ethoxy-5-nitro-pyrimidin-4-yl)benzimidazole 1-(6-ethoxy-5-nitro-pyrimidin-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) 2.05 8.39 -11.97 0 8 0 99 285.263 4 ↓
Lo Low (pH 4.5-6) 2.05 8.86 -27.16 1 8 1 100 286.271 4 ↓

Analogs

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Popular Name: 1-(6-isopropoxy-5-nitro-pyrimidin-4-yl)benzimidazole 1-(6-isopropoxy-5-nitro-pyrimidi…

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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) 2.42 9.3 -12.02 0 8 0 99 299.29 4 ↓
Lo Low (pH 4.5-6) 2.42 9.78 -27.02 1 8 1 100 300.298 4 ↓

Analogs

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Popular Name: 6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-ol 6-(benzimidazol-1-yl)-5-nitro-py…

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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 5.62 -44.65 0 8 -1 112 256.201 2 ↓
Lo Low (pH 4.5-6) 1.40 6.09 -36.93 1 8 0 114 257.209 2 ↓

Analogs

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Popular Name: 1-[6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]-2-tert-butyl-hydrazine 1-[6-(benzimidazol-1-yl)-5-nitro…

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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) 2.42 10.76 -10.23 2 9 0 113 327.348 5 ↓
Lo Low (pH 4.5-6) 2.42 11.24 -25.3 3 9 1 115 328.356 5 ↓

Analogs

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Popular Name: 6-(benzimidazol-1-yl)-N-isopentyl-5-nitro-pyrimidin-4-amine 6-(benzimidazol-1-yl)-N-isopenty…

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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) 3.13 11.86 -10.15 1 8 0 101 326.36 6 ↓
Lo Low (pH 4.5-6) 3.13 12.34 -25.43 2 8 1 103 327.368 6 ↓

Analogs

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Popular Name: 6-(benzimidazol-1-yl)-N-[(1S)-2-methoxy-1-methyl-ethyl]-5-nitro-pyrimidin-4-amine 6-(benzimidazol-1-yl)-N-[(1S)-2-…

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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) 1.79 9.85 -11.55 1 9 0 111 328.332 6 ↓
Lo Low (pH 4.5-6) 1.79 10.33 -25.89 2 9 1 112 329.34 6 ↓

Analogs

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Popular Name: 6-(benzimidazol-1-yl)-N-[(1R)-2-methoxy-1-methyl-ethyl]-5-nitro-pyrimidin-4-amine 6-(benzimidazol-1-yl)-N-[(1R)-2-…

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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) 1.79 9.85 -11.54 1 9 0 111 328.332 6 ↓
Lo Low (pH 4.5-6) 1.79 10.33 -25.9 2 9 1 112 329.34 6 ↓

Analogs

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Popular Name: 6-(benzimidazol-1-yl)-N-[(1R)-1-methylpropyl]-5-nitro-pyrimidin-4-amine 6-(benzimidazol-1-yl)-N-[(1R)-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) 2.69 11.52 -10.35 1 8 0 101 312.333 5 ↓
Lo Low (pH 4.5-6) 2.69 12 -25.12 2 8 1 103 313.341 5 ↓

Analogs

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Popular Name: 6-(benzimidazol-1-yl)-N-[(1S)-1-methylpropyl]-5-nitro-pyrimidin-4-amine 6-(benzimidazol-1-yl)-N-[(1S)-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) 2.69 11.52 -10.32 1 8 0 101 312.333 5 ↓
Lo Low (pH 4.5-6) 2.69 12 -25.1 2 8 1 103 313.341 5 ↓

Parameters Provided:

ring.id = 21879
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 = 21879 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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