UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-2-phenyl-thiazole 4-[(1-methyl-6,7-dihydro-4H-imid…

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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) 1.96 8.97 -31.58 1 4 1 35 311.434 3 ↓
Hi High (pH 8-9.5) 1.96 8.51 -14.34 0 4 0 34 310.426 3 ↓
Lo Low (pH 4.5-6) 1.96 11.22 -95.82 2 4 2 36 312.442 3 ↓

Analogs

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Popular Name: 2-(4-fluorophenyl)-4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]thiazole 2-(4-fluorophenyl)-4-[(1-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) 2.12 9.04 -31.97 1 4 1 35 329.424 3 ↓
Hi High (pH 8-9.5) 2.12 8.57 -13.08 0 4 0 34 328.416 3 ↓
Lo Low (pH 4.5-6) 2.12 11.29 -98.95 2 4 2 36 330.432 3 ↓

Analogs

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Popular Name: 2-(2-chlorophenyl)-4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]thiazole 2-(2-chlorophenyl)-4-[(1-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) 2.59 9.26 -32.62 1 4 1 35 345.879 3 ↓
Hi High (pH 8-9.5) 2.59 8.79 -14.43 0 4 0 34 344.871 3 ↓
Lo Low (pH 4.5-6) 2.59 11.51 -96.6 2 4 2 36 346.887 3 ↓

Analogs

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Popular Name: 2-(4-methoxyphenyl)-4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]thiazole 2-(4-methoxyphenyl)-4-[(1-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) 2.02 8.28 -32.11 1 5 1 44 341.46 4 ↓
Hi High (pH 8-9.5) 2.02 7.81 -14.71 0 5 0 43 340.452 4 ↓
Lo Low (pH 4.5-6) 2.02 10.53 -97.2 2 5 2 46 342.468 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-fluorophenyl)-4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]thiazole 2-(2-fluorophenyl)-4-[(1-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) 2.08 8.95 -33.71 1 4 1 35 329.424 3 ↓
Hi High (pH 8-9.5) 2.08 8.48 -15.25 0 4 0 34 328.416 3 ↓
Lo Low (pH 4.5-6) 2.08 11.2 -98.56 2 4 2 36 330.432 3 ↓

Parameters Provided:

ring.id = 350936
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 = 350936 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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