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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: 7-[(1-ethyl-5-fluoro-benzimidazol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 7-[(1-ethyl-5-fluoro-benzimidazo…

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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) 1.66 7.5 -14.46 0 5 0 47 311.364 3 ↓
Mid Mid (pH 6-8) 1.66 7.9 -35.61 1 5 1 48 312.372 3 ↓
Mid Mid (pH 6-8) 1.66 9.74 -55.55 1 5 1 48 312.372 3 ↓

Analogs

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Popular Name: 7-[(5-chloro-1-methyl-benzimidazol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 7-[(5-chloro-1-methyl-benzimidaz…

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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 7.03 -14.33 0 5 0 47 313.792 2 ↓
Mid Mid (pH 6-8) 1.79 7.21 -36.02 1 5 1 48 314.8 2 ↓
Mid Mid (pH 6-8) 1.79 9.27 -55.05 1 5 1 48 314.8 2 ↓

Analogs

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Popular Name: 7-[(1-ethyl-4-fluoro-benzimidazol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 7-[(1-ethyl-4-fluoro-benzimidazo…

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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) 1.63 7.5 -17.21 0 5 0 47 311.364 3 ↓
Mid Mid (pH 6-8) 1.63 9.73 -55.6 1 5 1 48 312.372 3 ↓

Analogs

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Popular Name: 7-[(1-methylbenzimidazol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 7-[(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) 1.14 6.52 -14.58 0 5 0 47 279.347 2 ↓
Mid Mid (pH 6-8) 1.14 6.69 -33.35 1 5 1 48 280.355 2 ↓
Mid Mid (pH 6-8) 1.14 8.76 -52.33 1 5 1 48 280.355 2 ↓

Analogs

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Popular Name: 2-ethyl-7-[(1-ethyl-4-fluoro-benzimidazol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 2-ethyl-7-[(1-ethyl-4-fluoro-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) 2.29 8.07 -17.57 0 5 0 47 339.418 4 ↓
Mid Mid (pH 6-8) 2.29 10.3 -55.71 1 5 1 48 340.426 4 ↓

Analogs

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Popular Name: 2-[5-chloro-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)benzimidazol-1-yl]ethanol 2-[5-chloro-2-(6,8-dihydro-5H-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) 1.16 4.27 -12.5 1 6 0 67 343.818 4 ↓
Mid Mid (pH 6-8) 1.16 5.03 -36.56 2 6 1 68 344.826 4 ↓

Analogs

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Popular Name: 7-[(5-chloro-1-methyl-benzimidazol-2-yl)methyl]-2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 7-[(5-chloro-1-methyl-benzimidaz…

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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) 2.45 7.61 -14.6 0 5 0 47 341.846 3 ↓
Mid Mid (pH 6-8) 2.45 9.84 -55.12 1 5 1 48 342.854 3 ↓
Lo Low (pH 4.5-6) 2.45 7.78 -36.21 1 5 1 48 342.854 3 ↓

Analogs

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Popular Name: 7-[(5-chloro-1-methyl-benzimidazol-2-yl)methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 7-[(5-chloro-1-methyl-benzimidaz…

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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) 1.88 7 -14.7 0 5 0 47 327.819 2 ↓
Mid Mid (pH 6-8) 1.88 9.24 -55.24 1 5 1 48 328.827 2 ↓
Lo Low (pH 4.5-6) 1.88 7.17 -36.34 1 5 1 48 328.827 2 ↓

Parameters Provided:

ring.id = 351362
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 351362 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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