UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-(6-amino-3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-dihydroimidazol-2-one 4-(6-amino-3,4-dihydro-2H-quinol…

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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) 0.51 1.31 -17.88 4 6 0 95 258.281 1 ↓

Analogs

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Popular Name: 4-[(3S)-3-amino-3,4-dihydro-2H-quinoline-1-carbonyl]-1,3-dihydroimidazol-2-one 4-[(3S)-3-amino-3,4-dihydro-2H-q…

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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) -0.20 0.67 -76.63 5 6 1 97 259.289 1 ↓
Hi High (pH 8-9.5) -0.20 0.35 -15.25 4 6 0 95 258.281 1 ↓

Analogs

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Popular Name: 4-[(3R)-3-amino-3,4-dihydro-2H-quinoline-1-carbonyl]-1,3-dihydroimidazol-2-one 4-[(3R)-3-amino-3,4-dihydro-2H-q…

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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) -0.20 0.61 -72.34 5 6 1 97 259.289 1 ↓
Hi High (pH 8-9.5) -0.20 0.3 -15.06 4 6 0 95 258.281 1 ↓

Analogs

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Popular Name: 1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic 1-(2-oxo-1,3-dihydroimidazole-4-…

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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) 1.34 3.97 -65.37 2 7 -1 109 286.267 2 ↓

Parameters Provided:

ring.id = 527523
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 = 527523 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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