UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-bromo-4-(3,5-dimethyl-1,2,4-triazol-1-yl)quinolin-3-amine 6-bromo-4-(3,5-dimethyl-1,2,4-tr…

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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) 1.98 5.81 -10.86 2 5 0 70 318.178 1 ↓

Analogs

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Popular Name: 4-(3,5-dimethyl-1,2,4-triazol-1-yl)quinoline-3-carbonitrile 4-(3,5-dimethyl-1,2,4-triazol-1-…

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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) 1.30 7.37 -9.77 0 5 0 67 249.277 1 ↓

Analogs

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Popular Name: 4-(3,5-dimethyl-1,2,4-triazol-1-yl)quinoline-3-carbothioamide 4-(3,5-dimethyl-1,2,4-triazol-1-…

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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) 1.35 6.22 -17.84 2 5 0 70 283.36 2 ↓

Analogs

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Popular Name: 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N'-hydroxy-quinoline-3-carboxamidine 4-(3,5-dimethyl-1,2,4-triazol-1-…

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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) -0.14 4.78 -12.25 3 7 0 102 282.307 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3,5-dimethyl-1,2,4-triazol-1-yl)quinoline-3-carboxamidine 4-(3,5-dimethyl-1,2,4-triazol-1-…

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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) -0.06 4.27 -38.07 4 6 1 95 267.316 2 ↓

Parameters Provided:

ring.id = 557387
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 = 557387 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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