UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 7-methoxy-3-[(4-propyl-1,4-diazepan-1-yl)methyl]-1H-quinolin-2-one 7-methoxy-3-[(4-propyl-1,4-diaze…

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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) 1.97 6.62 -39.38 2 5 1 50 330.452 5 ↓
Mid Mid (pH 6-8) 1.97 6.8 -37.78 2 5 1 50 330.452 5 ↓

Analogs

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Popular Name: 1-[4-[(2-hydroxy-6-methoxy-3-quinolyl)methyl]-1,4-diazepan-1-yl]-2-methoxy-ethanone 1-[4-[(2-hydroxy-6-methoxy-3-qui…

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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) 0.39 6.77 -53.14 2 7 1 76 360.434 5 ↓
Mid Mid (pH 6-8) 0.39 4.88 -22.42 1 7 0 75 359.426 5 ↓

Analogs

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Popular Name: 3-[[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]methyl]-8-methyl-1H-quinolin-2-one 3-[[4-(2-methoxyacetyl)-1,4-diaz…

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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) 0.76 8.31 -52.68 2 6 1 67 344.435 4 ↓
Mid Mid (pH 6-8) 0.76 6.47 -22.56 1 6 0 66 343.427 4 ↓

Parameters Provided:

ring.id = 584352
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 = 584352 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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