UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(2-chloro-3-quinolyl)methyl]-N-isobutyl-cyclopropanamine N-[(2-chloro-3-quinolyl)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) 4.18 10.33 -37.07 1 2 1 17 289.83 5 ↓
Hi High (pH 8-9.5) 4.18 8.85 -6.12 0 2 0 16 288.822 5 ↓

Analogs

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Popular Name: 2-[(2-chloro-7-methyl-3-quinolyl)methyl-cyclopropyl-amino]acetic 2-[(2-chloro-7-methyl-3-quinolyl…

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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) 1.82 9.53 -36.96 1 4 0 57 304.777 5 ↓

Analogs

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Popular Name: 2-[(2-chloro-7-methoxy-3-quinolyl)methyl-cyclopropyl-amino]ethanol 2-[(2-chloro-7-methoxy-3-quinoly…

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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) 2.46 4.99 -42.85 2 4 1 47 307.801 6 ↓

Analogs

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Popular Name: 2-[(2-chloro-3-quinolyl)methyl-cyclopropyl-amino]ethanol 2-[(2-chloro-3-quinolyl)methyl-c…

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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) 2.43 5.69 -38.65 2 3 1 38 277.775 5 ↓
Hi High (pH 8-9.5) 2.43 4 -7.39 1 3 0 36 276.767 5 ↓

Parameters Provided:

ring.id = 417321
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 = 417321 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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