UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-(6-quinolyl)imidazole-1,5-diamine 4-(6-quinolyl)imidazole-1,5-diamine

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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) 0.64 4.77 -11.27 4 5 0 83 225.255 1 ↓
Mid Mid (pH 6-8) 0.64 5.19 -38.43 5 5 1 84 226.263 1 ↓

Analogs

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Popular Name: 2-methyl-4-(6-quinolyl)imidazole-1,5-diamine 2-methyl-4-(6-quinolyl)imidazole…

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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) 0.73 5.03 -33.13 5 5 1 84 240.29 1 ↓
Mid Mid (pH 6-8) 0.73 4.64 -11.36 4 5 0 83 239.282 1 ↓

Analogs

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Popular Name: 2-ethyl-4-(6-quinolyl)imidazole-1,5-diamine 2-ethyl-4-(6-quinolyl)imidazole-…

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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) 1.30 5.65 -32.08 5 5 1 84 254.317 2 ↓
Mid Mid (pH 6-8) 1.30 5.25 -11.17 4 5 0 83 253.309 2 ↓

Analogs

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Popular Name: 2-propyl-4-(6-quinolyl)imidazole-1,5-diamine 2-propyl-4-(6-quinolyl)imidazole…

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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) 1.80 6.43 -32.37 5 5 1 84 268.344 3 ↓
Mid Mid (pH 6-8) 1.80 6.03 -11.04 4 5 0 83 267.336 3 ↓

Analogs

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Popular Name: 2-tert-butyl-4-(6-quinolyl)imidazole-1,5-diamine 2-tert-butyl-4-(6-quinolyl)imida…

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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 6.73 -30.39 5 5 1 84 282.371 2 ↓
Mid Mid (pH 6-8) 2.45 6.33 -11.02 4 5 0 83 281.363 2 ↓

Analogs

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Popular Name: 2-isopropyl-4-(6-quinolyl)imidazole-1,5-diamine 2-isopropyl-4-(6-quinolyl)imidaz…

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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) 1.78 6.24 -30.88 5 5 1 84 268.344 2 ↓
Mid Mid (pH 6-8) 1.78 5.72 -10.89 4 5 0 83 267.336 2 ↓

Parameters Provided:

ring.id = 359481
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 = 359481 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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