UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43398950
43398950

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Popular Name: 6-(5-quinolylamino)pyridine-3-carbonitrile 6-(5-quinolylamino)pyridine-3-ca…

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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) 3.05 7.72 -13.45 1 4 0 62 246.273 2 ↓
Mid Mid (pH 6-8) 3.05 8.13 -41.73 2 4 1 63 247.281 2 ↓

Analogs

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Popular Name: 6-ethoxy-N2-(5-quinolyl)pyridine-2,5-diamine 6-ethoxy-N2-(5-quinolyl)pyridine…

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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) 3.50 5.08 -10.02 3 5 0 73 280.331 4 ↓
Mid Mid (pH 6-8) 3.50 5.51 -34.21 4 5 1 74 281.339 4 ↓

Analogs

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Popular Name: 6-methoxy-N2-(5-quinolyl)pyridine-2,5-diamine 6-methoxy-N2-(5-quinolyl)pyridin…

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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) 3.12 4.14 -10.16 3 5 0 73 266.304 3 ↓
Mid Mid (pH 6-8) 3.12 4.56 -34.29 4 5 1 74 267.312 3 ↓

Analogs

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Popular Name: N-(6-bromo-2-pyridyl)quinolin-5-amine N-(6-bromo-2-pyridyl)quinolin-5-…

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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) 4.44 7.81 -10.32 1 3 0 38 300.159 2 ↓
Lo Low (pH 4.5-6) 4.44 8.23 -34.87 2 3 1 39 301.167 2 ↓

Analogs

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Popular Name: N-(6-chloro-3-nitro-2-pyridyl)quinolin-5-amine N-(6-chloro-3-nitro-2-pyridyl)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) 4.22 8.67 -8.8 1 6 0 84 300.705 3 ↓
Mid Mid (pH 6-8) 4.22 9.09 -34.3 2 6 1 85 301.713 3 ↓

Analogs

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Popular Name: 5-amino-2-(5-quinolylamino)pyridine-3-carboxamide 5-amino-2-(5-quinolylamino)pyrid…

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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) 1.69 2.45 -14.02 5 6 0 107 279.303 3 ↓
Mid Mid (pH 6-8) 1.69 2.87 -33.26 6 6 1 108 280.311 3 ↓
Lo Low (pH 4.5-6) 1.69 2.55 -81.79 7 6 2 109 281.319 3 ↓

Parameters Provided:

ring.id = 48384
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 = 48384 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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