UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 7-chloro-N-[(6-methoxy-3-pyridyl)methyl]quinolin-4-amine 7-chloro-N-[(6-methoxy-3-pyridyl…

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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) 3.25 5.22 -36.59 2 4 1 48 300.769 4 ↓
Hi High (pH 8-9.5) 3.25 4.79 -9.46 1 4 0 47 299.761 4 ↓

Analogs

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Popular Name: 7-chloro-N-[(6-methyl-3-pyridyl)methyl]quinolin-4-amine 7-chloro-N-[(6-methyl-3-pyridyl)…

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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) 2.90 7.35 -34.81 2 3 1 39 284.77 3 ↓
Hi High (pH 8-9.5) 2.90 6.93 -8.59 1 3 0 38 283.762 3 ↓
Lo Low (pH 4.5-6) 2.90 7.79 -84.28 3 3 2 40 285.778 3 ↓

Analogs

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Popular Name: 2-methyl-N-[(6-methyl-3-pyridyl)methyl]quinolin-4-amine 2-methyl-N-[(6-methyl-3-pyridyl)…

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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) 2.69 7.42 -28.72 2 3 1 39 264.352 3 ↓
Lo Low (pH 4.5-6) 2.69 7.86 -76.68 3 3 2 40 265.36 3 ↓

Analogs

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Popular Name: 2-[4-(3-pyridylmethylamino)-2-quinolyl]acetic 2-[4-(3-pyridylmethylamino)-2-qu…

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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) 2.08 7.43 -36.97 2 5 0 79 293.326 5 ↓
Lo Low (pH 4.5-6) 2.08 7.9 -73.22 3 5 1 80 294.334 5 ↓

Analogs

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Popular Name: 2-methylsulfanyl-4-(3-pyridylmethylamino)quinoline-3-carbonitrile 2-methylsulfanyl-4-(3-pyridylmet…

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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) 2.82 6.91 -9.5 1 4 0 62 306.394 4 ↓
Lo Low (pH 4.5-6) 2.82 7.38 -41.86 2 4 1 63 307.402 4 ↓

Analogs

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Popular Name: N-[(6-methoxy-3-pyridyl)methyl]-2-methyl-quinolin-4-amine N-[(6-methoxy-3-pyridyl)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) 3.03 5.29 -30.4 2 4 1 48 280.351 4 ↓

Parameters Provided:

ring.id = 128824
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 = 128824 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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