UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline 6-(1-methylpyrazol-4-yl)-1,2,3,4…

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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) 2.45 5.77 -7.85 1 3 0 30 213.284 1 ↓
Lo Low (pH 4.5-6) 2.45 6.24 -41.67 2 3 1 34 214.292 1 ↓

Analogs

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Popular Name: 6-(1-ethylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline 6-(1-ethylpyrazol-4-yl)-1,2,3,4-…

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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) 2.83 6.65 -7.58 1 3 0 30 227.311 2 ↓
Lo Low (pH 4.5-6) 2.83 7.12 -41.44 2 3 1 34 228.319 2 ↓

Analogs

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Popular Name: 6-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline 6-(1-propylpyrazol-4-yl)-1,2,3,4…

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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) 3.33 7.4 -7.27 1 3 0 30 241.338 3 ↓
Lo Low (pH 4.5-6) 3.33 7.88 -41.19 2 3 1 34 242.346 3 ↓

Analogs

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Popular Name: 6-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline 6-(1,3,5-trimethylpyrazol-4-yl)-…

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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 6.93 -7.54 1 3 0 30 241.338 1 ↓
Lo Low (pH 4.5-6) 2.90 7.41 -42.96 2 3 1 34 242.346 1 ↓

Parameters Provided:

ring.id = 32889
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 = 32889 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=32889&filter.purchasability=annotated

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