UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-cyclopropyl-5-(6-quinolyl)imidazol-4-amine 3-cyclopropyl-5-(6-quinolyl)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) 1.66 7.84 -8.21 3 4 0 56 252.321 2 ↓
Hi High (pH 8-9.5) 1.66 6.82 -47.21 2 4 0 54 251.313 2 ↓

Analogs

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Popular Name: 3-cyclopropyl-2-methyl-5-(6-quinolyl)imidazol-4-amine 3-cyclopropyl-2-methyl-5-(6-quin…

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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) 2.11 7.85 -8.12 3 4 0 56 266.348 2 ↓
Hi High (pH 8-9.5) 2.11 6.87 -43.89 2 4 0 54 265.34 2 ↓

Analogs

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Popular Name: 3-cyclopropyl-2-ethyl-5-(6-quinolyl)imidazol-4-amine 3-cyclopropyl-2-ethyl-5-(6-quino…

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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) 2.61 8.38 -7.88 3 4 0 56 280.375 3 ↓
Hi High (pH 8-9.5) 2.61 7.9 -43.71 2 4 0 54 279.367 3 ↓

Parameters Provided:

ring.id = 359350
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 = 359350 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=359350&filter.purchasability=annotated

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